1-Phenylpyrazole

• CAS: 1126-00-7
• Catalog Number: ACM1126007
• Category: Other Products
• Molecular Weight: 144.17g/mol
• Molecular Formula: C9H8N2
• Synonyms: N-Phenylpyrazole;Pyrazole, 1-phenyl-;AKOS B030594;1-PHENYLPYRAZOL;1-PHENYLPYRAZOLE;1-PHENYL-1H-PYRAZOLE;1H-Pyrazole, 1-phenyl-;1-Phenylpyrazole ,98%
• IUPAC Name: 1-phenylpyrazole
• Canonical SMILES: C1=CC=C(C=C1)N2C=CC=N2
• InChI: InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
• InChI Key: WITMXBRCQWOZPX-UHFFFAOYSA-N
• Boiling Point: 141-142°C (30 mmHg)
• Flash Point: 109°C
• Density: 1.09
• Complexity: 119
• Covalently-Bonded Unit Count: 1
• EC Number: 214-415-1
• Exact Mass: 144.068748g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• LogP: 2.2 (LogP)
• Monoisotopic Mass: 144.068748g/mol
• NSC Number: 65588
• Rotatable Bond Count: 1
• Safety Description: 37/39-26
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• XLogP3: 2.2

Custom Q&A

What is the molecular formula of 1-phenylpyrazole?

The molecular formula of 1-phenylpyrazole is C9H8N2.

When was 1-phenylpyrazole created and last modified?

1-phenylpyrazole was created on 2005-03-26 and last modified on 2023-12-30.

What is the molecular weight of 1-phenylpyrazole?

The molecular weight of 1-phenylpyrazole is 144.17 g/mol.

What are some synonyms for 1-phenylpyrazole?

Some synonyms for 1-phenylpyrazole are 1-Phenyl-1H-pyrazole, N-Phenylpyrazole, and 1H-Pyrazole.

What is the InChIKey of 1-phenylpyrazole?

The InChIKey of 1-phenylpyrazole is WITMXBRCQWOZPX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1-phenylpyrazole have?

1-phenylpyrazole has 0 hydrogen bond donor counts.

What is the topological polar surface area of 1-phenylpyrazole?

The topological polar surface area of 1-phenylpyrazole is 17.8 Ų.

How many rotatable bond counts does 1-phenylpyrazole have?

1-phenylpyrazole has 1 rotatable bond count.

What is the XLogP3 value of 1-phenylpyrazole?

The XLogP3 value of 1-phenylpyrazole is 2.2.

What is the formal charge of 1-phenylpyrazole?

The formal charge of 1-phenylpyrazole is 0.