3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

C19H15ClN6O — CID 47027158

IUPAC3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H15ClN6O/c20-15-4-1-3-14(9-15)16-10-17(25-24-16)19(27)22-12-13-5-6-18(21-11-13)26-8-2-7-23-26/h1-11H,12H2,(H,22,27)(H,24,25)
InChIKeyFWDBSDPALKJHIS-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.24
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 47027158) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID47027158
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H15ClN6O/c20-15-4-1-3-14(9-15)16-10-17(25-24-16)19(27)22-12-13-5-6-18(21-11-13)26-8-2-7-23-26/h1-11H,12H2,(H,22,27)(H,24,25)
InChIKeyFWDBSDPALKJHIS-UHFFFAOYSA-N
XLogP3.24
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-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

3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810356
N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920544
2,5-dichloro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 51112319
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 51317105
(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 25345668
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 146132939
3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 46920548
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (CID 47027158) is 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(-n2cccn2)nc1)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FWDBSDPALKJHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c20-15-4-1-3-14(9-15)16-10-17(25-24-16)19(27)22-12-13-5-6-18(21-11-13)26-8-2-7-23-26/h1-11H,12H2,(H,22,27)(H,24,25).
What are the key properties of 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47027158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).