6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide

C16H12Cl2N4O — CID 46107107

IUPAC6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)nc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N4O/c1-10-8-15(20-16(23)11-2-7-14(18)19-9-11)21-22(10)13-5-3-12(17)4-6-13/h2-9H,1H3,(H,20,21,23)
InChIKeyVHKYLFZLJGJCIS-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.13
Rot. Bonds3

About 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide

6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 46107107) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
PubChem CID46107107
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)nc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N4O/c1-10-8-15(20-16(23)11-2-7-14(18)19-9-11)21-22(10)13-5-3-12(17)4-6-13/h2-9H,1H3,(H,20,21,23)
InChIKeyVHKYLFZLJGJCIS-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46107928
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide
CID 79101544
6-chloro-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78837599
3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
CID 46107962

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide (CID 46107107) is 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)nc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is VHKYLFZLJGJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c1-10-8-15(20-16(23)11-2-7-14(18)19-9-11)21-22(10)13-5-3-12(17)4-6-13/h2-9H,1H3,(H,20,21,23).
What are the key properties of 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46107107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).