ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate

C14H17N5O2 — CID 2763542

IUPACethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate
SMILESCCOC(C)=NNC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=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)
InChIKeyLCGQSAQHSIXDBZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.55
Rot. Bonds4

About ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate

ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate (PubChem CID 2763542) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate.

Molecular Properties

Compound Nameethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate
PubChem CID2763542
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Nameethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate
SMILESCCOC(C)=NNC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=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)
InChIKeyLCGQSAQHSIXDBZ-UHFFFAOYSA-N
XLogP1.55
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560
5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 2813634
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371
5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 2813638
ethyl 5-amino-1-[4-(3-phenylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363360
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363367
ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
ethyl 5-isothiocyanato-1-phenylpyrazole-4-carboxylate
CID 44818413

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate?
The IUPAC name of ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate (CID 2763542) is ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate.
What is the SMILES notation for ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate?
The canonical SMILES for ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate is CCOC(C)=NNC(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate?
The InChIKey is LCGQSAQHSIXDBZ-UHFFFAOYSA-N. The full 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).
What are the key properties of ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate?
ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate has a molecular weight of 287.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate is sourced from PubChem (CID 2763542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).