3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide

C22H17ClN4O2 — CID 59547911

IUPAC3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2Oc2ccccc2)n1)c1ccncc1Cl
InChIInChI=1S/C22H17ClN4O2/c23-19-14-24-12-10-18(19)22(28)25-21-11-13-27(26-21)15-16-6-4-5-9-20(16)29-17-7-2-1-3-8-17/h1-14H,15H2,(H,25,26,28)
InChIKeyJMZOWIHGPDZJRZ-UHFFFAOYSA-N
MW404.86 g/mol
LogP5.02
Rot. Bonds6

About 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide

3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide (PubChem CID 59547911) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
PubChem CID59547911
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2Oc2ccccc2)n1)c1ccncc1Cl
InChIInChI=1S/C22H17ClN4O2/c23-19-14-24-12-10-18(19)22(28)25-21-11-13-27(26-21)15-16-6-4-5-9-20(16)29-17-7-2-1-3-8-17/h1-14H,15H2,(H,25,26,28)
InChIKeyJMZOWIHGPDZJRZ-UHFFFAOYSA-N
XLogP5.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496154
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19285520
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830
ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate
CID 58083572
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
CID 91643727
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide (CID 59547911) is 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide is O=C(Nc1ccn(Cc2ccccc2Oc2ccccc2)n1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
The InChIKey is JMZOWIHGPDZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-19-14-24-12-10-18(19)22(28)25-21-11-13-27(26-21)15-16-6-4-5-9-20(16)29-17-7-2-1-3-8-17/h1-14H,15H2,(H,25,26,28).
What are the key properties of 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 59547911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).