2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide

C13H15ClN4O — CID 115465628

IUPAC2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide
SMILESCc1c(Cl)cnn1Cc1ccccc1CC(=O)NN
InChIInChI=1S/C13H15ClN4O/c1-9-12(14)7-16-18(9)8-11-5-3-2-4-10(11)6-13(19)17-15/h2-5,7H,6,8,15H2,1H3,(H,17,19)
InChIKeyHOVRVRKOBDWSQK-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.43
Rot. Bonds4

About 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide

2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 115465628) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide
PubChem CID115465628
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide
SMILESCc1c(Cl)cnn1Cc1ccccc1CC(=O)NN
InChIInChI=1S/C13H15ClN4O/c1-9-12(14)7-16-18(9)8-11-5-3-2-4-10(11)6-13(19)17-15/h2-5,7H,6,8,15H2,1H3,(H,17,19)
InChIKeyHOVRVRKOBDWSQK-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.43
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'}

Analyze 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
CID 115465599
2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-6-nitrobenzoic acid
CID 104825630
2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-6-nitroaniline
CID 107351940
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766128
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
CID 63278624
hydrazinyl 3-(4-chloro-5-methylpyrazol-1-yl)propanoate
CID 66337882
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 19520601
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide (CID 115465628) is 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide is Cc1c(Cl)cnn1Cc1ccccc1CC(=O)NN.
What is the InChIKey of 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is HOVRVRKOBDWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-12(14)7-16-18(9)8-11-5-3-2-4-10(11)6-13(19)17-15/h2-5,7H,6,8,15H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 278.74 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).