2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide

C12H13ClN4O — CID 5239334

IUPAC2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-8-6-11(12(18)15-14)17(16-8)7-9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyNVZRRRAETTVZMG-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.50
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide

2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide (PubChem CID 5239334) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
PubChem CID5239334
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-8-6-11(12(18)15-14)17(16-8)7-9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyNVZRRRAETTVZMG-UHFFFAOYSA-N
XLogP1.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.50
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

3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
CID 91871484
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82297625
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
1-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazole-5-carboxamide
CID 168890682
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 100584803
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525717
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263
2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105078035
2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide
CID 19616946
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide
CID 118715031
1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
CID 24711857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide (CID 5239334) is 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NN)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide?
The InChIKey is NVZRRRAETTVZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-6-11(12(18)15-14)17(16-8)7-9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide?
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide has a molecular weight of 264.72 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 5239334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).