1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C22H17ClN4O — CID 42818142

IUPAC1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C22H17ClN4O/c23-17-9-11-19(12-10-17)27-21(16-6-2-1-3-7-16)20(15-26-27)22(28)25-14-18-8-4-5-13-24-18/h1-13,15H,14H2,(H,25,28)
InChIKeyFBAACHLQBAKQFJ-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.52
Rot. Bonds5

About 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818142) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818142
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC Name1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C22H17ClN4O/c23-17-9-11-19(12-10-17)27-21(16-6-2-1-3-7-16)20(15-26-27)22(28)25-14-18-8-4-5-13-24-18/h1-13,15H,14H2,(H,25,28)
InChIKeyFBAACHLQBAKQFJ-UHFFFAOYSA-N
XLogP4.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818120
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
2-tert-butyl-7-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3985689
1-(4-chlorophenyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 52681875
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56557816
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92648857
1-(4-chlorophenyl)-5-methyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 78885968
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 42818142) is 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is O=C(NCc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is FBAACHLQBAKQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-17-9-11-19(12-10-17)27-21(16-6-2-1-3-7-16)20(15-26-27)22(28)25-14-18-8-4-5-13-24-18/h1-13,15H,14H2,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).