5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide

C15H17ClN4O2 — CID 18138371

IUPAC5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O2/c1-9(2)7-13(21)18-20-15(22)12-8-17-19-14(12)10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,19)(H,18,21)(H,20,22)
InChIKeyFJMKMZRDVQMEGF-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.54
Rot. Bonds4

About 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide

5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide (PubChem CID 18138371) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide
PubChem CID18138371
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O2/c1-9(2)7-13(21)18-20-15(22)12-8-17-19-14(12)10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,19)(H,18,21)(H,20,22)
InChIKeyFJMKMZRDVQMEGF-UHFFFAOYSA-N
XLogP2.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
CID 55497230
5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
CID 30544747
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 17429031
5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide
CID 166247364
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide (CID 18138371) is 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide is CC(C)CC(=O)NNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide?
The InChIKey is FJMKMZRDVQMEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-9(2)7-13(21)18-20-15(22)12-8-17-19-14(12)10-3-5-11(16)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,17,19)(H,18,21)(H,20,22).
What are the key properties of 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide?
5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide has a molecular weight of 320.78 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N'-(3-methylbutanoyl)-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 18138371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).