1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C20H21ClN4O — CID 42818370

IUPAC1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C(C)C)c1C(=O)NCc1cccnc1
InChIInChI=1S/C20H21ClN4O/c1-13(2)19-18(20(26)23-12-15-5-4-10-22-11-15)14(3)24-25(19)17-8-6-16(21)7-9-17/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyAXJLBCBABJRHPR-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818370) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818370
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C(C)C)c1C(=O)NCc1cccnc1
InChIInChI=1S/C20H21ClN4O/c1-13(2)19-18(20(26)23-12-15-5-4-10-22-11-15)14(3)24-25(19)17-8-6-16(21)7-9-17/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyAXJLBCBABJRHPR-UHFFFAOYSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 24538480
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 46140641
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
2-[(4-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033202
4-benzyl-3,5-dioxo-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46005493
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
1-(4-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 24712291
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 100632211
1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 123570891
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 42818370) is 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c(C(C)C)c1C(=O)NCc1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is AXJLBCBABJRHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13(2)19-18(20(26)23-12-15-5-4-10-22-11-15)14(3)24-25(19)17-8-6-16(21)7-9-17/h4-11,13H,12H2,1-3H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).