1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C20H21ClN4O — CID 46140641

IUPAC1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccc(Cl)cc2)c(CC)c1C(=O)NCc1cccnc1
InChIInChI=1S/C20H21ClN4O/c1-3-17-19(20(26)23-13-14-6-5-11-22-12-14)18(4-2)25(24-17)16-9-7-15(21)8-10-16/h5-12H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyOTZPPRWGLNKCGE-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.98
Rot. Bonds6

About 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 46140641) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID46140641
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccc(Cl)cc2)c(CC)c1C(=O)NCc1cccnc1
InChIInChI=1S/C20H21ClN4O/c1-3-17-19(20(26)23-13-14-6-5-11-22-12-14)18(4-2)25(24-17)16-9-7-15(21)8-10-16/h5-12H,3-4,13H2,1-2H3,(H,23,26)
InChIKeyOTZPPRWGLNKCGE-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820498
1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818370
1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 24538480
3-cyclopropyl-5-ethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 24712724
3-cyclopropyl-5-ethyl-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820483
3-cyclopropyl-5-ethyl-1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820506
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
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
methyl 2-[1-(4-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetate
CID 79220409
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 46140641) is 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is CCc1nn(-c2ccc(Cl)cc2)c(CC)c1C(=O)NCc1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is OTZPPRWGLNKCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-3-17-19(20(26)23-13-14-6-5-11-22-12-14)18(4-2)25(24-17)16-9-7-15(21)8-10-16/h5-12H,3-4,13H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46140641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).