[1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid

C16H11Cl2N5O3 — CID 87270427

IUPAC[1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cn(-c2cccc(Cl)c2)nc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C16H11Cl2N5O3/c17-10-2-1-3-11(6-10)23-8-12(20-16(25)26)14(22-23)21-15(24)9-4-5-13(18)19-7-9/h1-8,20H,(H,25,26)(H,21,22,24)
InChIKeyFDYBQSKVJHWIQG-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.92
Rot. Bonds4

About [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid

[1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid (PubChem CID 87270427) has the molecular formula C16H11Cl2N5O3 and a molecular weight of 392.20 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid
PubChem CID87270427
Molecular FormulaC16H11Cl2N5O3
Molecular Weight392.20 g/mol
Exact Mass391.02
IUPAC Name[1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cn(-c2cccc(Cl)c2)nc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C16H11Cl2N5O3/c17-10-2-1-3-11(6-10)23-8-12(20-16(25)26)14(22-23)21-15(24)9-4-5-13(18)19-7-9/h1-8,20H,(H,25,26)(H,21,22,24)
InChIKeyFDYBQSKVJHWIQG-UHFFFAOYSA-N
XLogP3.92
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 69052738
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
CID 60527227
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
CID 24828386
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333
6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide
CID 79101544
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid?
The IUPAC name of [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid (CID 87270427) is [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid.
What is the SMILES notation for [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid?
The canonical SMILES for [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid is O=C(O)Nc1cn(-c2cccc(Cl)c2)nc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid?
The InChIKey is FDYBQSKVJHWIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O3/c17-10-2-1-3-11(6-10)23-8-12(20-16(25)26)14(22-23)21-15(24)9-4-5-13(18)19-7-9/h1-8,20H,(H,25,26)(H,21,22,24).
What are the key properties of [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid?
[1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid has a molecular weight of 392.20 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid is sourced from PubChem (CID 87270427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).