1-benzyl-5-methylpyrazole-3-carbohydrazide

C12H14N4O — CID 26597167

IUPAC1-benzyl-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)nn1Cc1ccccc1
InChIInChI=1S/C12H14N4O/c1-9-7-11(12(17)14-13)15-16(9)8-10-5-3-2-4-6-10/h2-7H,8,13H2,1H3,(H,14,17)
InChIKeyXTJBXHHXTKMDPE-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.84
Rot. Bonds3

About 1-benzyl-5-methylpyrazole-3-carbohydrazide

1-benzyl-5-methylpyrazole-3-carbohydrazide (PubChem CID 26597167) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-benzyl-5-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-5-methylpyrazole-3-carbohydrazide
PubChem CID26597167
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-benzyl-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)nn1Cc1ccccc1
InChIInChI=1S/C12H14N4O/c1-9-7-11(12(17)14-13)15-16(9)8-10-5-3-2-4-6-10/h2-7H,8,13H2,1H3,(H,14,17)
InChIKeyXTJBXHHXTKMDPE-UHFFFAOYSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.84
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-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
1-benzyl-5-phenylpyrazole-3-carbohydrazide
CID 91871673
N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213307
1-benzyl-N,5-dimethyl-N-(2-methylphenyl)pyrazole-3-carboxamide
CID 67782203
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 91004769
1-[(4-bromophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82307972
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 162444700
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
3-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498375

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methylpyrazole-3-carbohydrazide?
The IUPAC name of 1-benzyl-5-methylpyrazole-3-carbohydrazide (CID 26597167) is 1-benzyl-5-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-5-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-benzyl-5-methylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NN)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methylpyrazole-3-carbohydrazide?
The InChIKey is XTJBXHHXTKMDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-7-11(12(17)14-13)15-16(9)8-10-5-3-2-4-6-10/h2-7H,8,13H2,1H3,(H,14,17).
What are the key properties of 1-benzyl-5-methylpyrazole-3-carbohydrazide?
1-benzyl-5-methylpyrazole-3-carbohydrazide has a molecular weight of 230.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 26597167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).