CAS
99343-91-6 Purity
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99343-91-6 Purity
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1H-Pyrazole-4-carboxylicacid,5-amino-1-phenyl-,2-(1-ethoxyethylidene)hydrazide
CAS
99347-10-1
Catalog Number
ACM99347101
Category
Other Products
Molecular Weight
287.32
Molecular Formula
C14H17N5O2
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Specification
Synonyms
ZINC02585583, CID5706797, 99347-10-1
IUPAC Name
ethyl (1Z)-N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate
Canonical SMILES
CCOC(=NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N)C
InChI Key
LCGQSAQHSIXDBZ-YVLHZVERSA-N
Melting Point
146-148ºC
Density
1.27g/cm³
Exact Mass
287.13800
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula is C14H17N5O2.
What is the molecular weight of the compound?
The molecular weight is 287.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl (1E)-N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate.
What is the InChI of the compound?
The InChI is InChI=1S/C14H17N5O2/c1-3-21-10(2)17-18-14(20)12-9-16-19(13(12)15)11-7-5-4-6-8-11/h4-9H,3,15H2,1-2H3,(H,18,20)/b17-10+.
What is the InChIKey of the compound?
The InChIKey is LCGQSAQHSIXDBZ-LICLKQGHSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCOC(=NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N)C.
What is the isomeric SMILES of the compound?
The isomeric SMILES is CCO/C(=N/NC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N)/C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.1.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count is 5.
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