1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide

C12H12ClN3O — CID 24711857

IUPAC1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
SMILESNNC(=O)c1cccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-10-5-3-9(4-6-10)8-16-7-1-2-11(16)12(17)15-14/h1-7H,8,14H2,(H,15,17)
InChIKeyJWDCZTZAJYLKMD-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.79
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide

1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide (PubChem CID 24711857) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
PubChem CID24711857
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
SMILESNNC(=O)c1cccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O/c13-10-5-3-9(4-6-10)8-16-7-1-2-11(16)12(17)15-14/h1-7H,8,14H2,(H,15,17)
InChIKeyJWDCZTZAJYLKMD-UHFFFAOYSA-N
XLogP1.79
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-[carbamoyl(hydroxy)amino]ethyl]-1-[(4-chlorophenyl)methyl]pyrrole-2-carboxamide
CID 19761868
(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone
CID 177375481
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
1-[(4-aminophenyl)methyl]pyrrole-2-carboxylic acid
CID 154695147
2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352210
1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
CID 130175298
1-[(4-aminophenyl)methyl]pyrrole-2-carboxylic acid;ethane
CID 154695186
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
N-(5-chloro-2-methylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124078
4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]amino]ethyl]cyclohexa-2,4-diene-1-carboxylic acid
CID 163970340
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
CID 5239334
N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
CID 114383386

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide (CID 24711857) is 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide is NNC(=O)c1cccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide?
The InChIKey is JWDCZTZAJYLKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-5-3-9(4-6-10)8-16-7-1-2-11(16)12(17)15-14/h1-7H,8,14H2,(H,15,17).
What are the key properties of 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide?
1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide has a molecular weight of 249.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 24711857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).