1-benzylpyrazole-4-carbohydrazide

C11H12N4O — CID 83386286

IUPAC1-benzylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C11H12N4O/c12-14-11(16)10-6-13-15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,12H2,(H,14,16)
InChIKeyKTYLPWWRJJPZJK-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.53
Rot. Bonds3

About 1-benzylpyrazole-4-carbohydrazide

1-benzylpyrazole-4-carbohydrazide (PubChem CID 83386286) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-benzylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzylpyrazole-4-carbohydrazide
PubChem CID83386286
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-benzylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C11H12N4O/c12-14-11(16)10-6-13-15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,12H2,(H,14,16)
InChIKeyKTYLPWWRJJPZJK-UHFFFAOYSA-N
XLogP0.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
1-benzyl-N-(2-benzylsulfanylethyl)pyrazole-4-carboxamide
CID 9470407
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrazole-4-carbohydrazide?
The IUPAC name of 1-benzylpyrazole-4-carbohydrazide (CID 83386286) is 1-benzylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzylpyrazole-4-carbohydrazide is NNC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzylpyrazole-4-carbohydrazide?
The InChIKey is KTYLPWWRJJPZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-14-11(16)10-6-13-15(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,12H2,(H,14,16).
What are the key properties of 1-benzylpyrazole-4-carbohydrazide?
1-benzylpyrazole-4-carbohydrazide has a molecular weight of 216.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrazole-4-carbohydrazide is sourced from PubChem (CID 83386286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).