3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

C23H19ClN4O2 — CID 42759391

IUPAC3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-30-18-8-6-17(7-9-18)28-22(23(29)26-15-16-10-12-25-13-11-16)14-21(27-28)19-4-2-3-5-20(19)24/h2-14H,15H2,1H3,(H,26,29)
InChIKeyJGVAMCUWGAEXFS-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.53
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 42759391) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
PubChem CID42759391
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-30-18-8-6-17(7-9-18)28-22(23(29)26-15-16-10-12-25-13-11-16)14-21(27-28)19-4-2-3-5-20(19)24/h2-14H,15H2,1H3,(H,26,29)
InChIKeyJGVAMCUWGAEXFS-UHFFFAOYSA-N
XLogP4.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
3-(3-methoxyphenyl)-1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3589101
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 5187683
N-benzyl-3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3332427
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (CID 42759391) is 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is JGVAMCUWGAEXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-30-18-8-6-17(7-9-18)28-22(23(29)26-15-16-10-12-25-13-11-16)14-21(27-28)19-4-2-3-5-20(19)24/h2-14H,15H2,1H3,(H,26,29).
What are the key properties of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42759391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).