N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide

C14H15ClN4O2 — CID 24671907

IUPACN'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
SMILESCCCc1cc(C(=O)NNC(=O)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H15ClN4O2/c1-2-5-9-8-12(17-16-9)14(21)19-18-13(20)10-6-3-4-7-11(10)15/h3-4,6-8H,2,5H2,1H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyPNHHKSQDZTXABX-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.09
Rot. Bonds4

About N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide

N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide (PubChem CID 24671907) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
PubChem CID24671907
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
SMILESCCCc1cc(C(=O)NNC(=O)c2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H15ClN4O2/c1-2-5-9-8-12(17-16-9)14(21)19-18-13(20)10-6-3-4-7-11(10)15/h3-4,6-8H,2,5H2,1H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyPNHHKSQDZTXABX-UHFFFAOYSA-N
XLogP2.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.09
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

N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 60551015
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55554654
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
CID 86822321
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97122450

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide (CID 24671907) is N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide is CCCc1cc(C(=O)NNC(=O)c2ccccc2Cl)n[nH]1.
What is the InChIKey of N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is PNHHKSQDZTXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-2-5-9-8-12(17-16-9)14(21)19-18-13(20)10-6-3-4-7-11(10)15/h3-4,6-8H,2,5H2,1H3,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide?
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 306.75 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 24671907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).