3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide

C20H20ClN3O2 — CID 42759384

IUPAC3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(OC)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-12-22-20(25)19-13-18(16-6-4-5-7-17(16)21)23-24(19)14-8-10-15(26-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,22,25)
InChIKeyGKSNSCQWDGNXQX-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.34
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide

3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide (PubChem CID 42759384) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
PubChem CID42759384
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(OC)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-12-22-20(25)19-13-18(16-6-4-5-7-17(16)21)23-24(19)14-8-10-15(26-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,22,25)
InChIKeyGKSNSCQWDGNXQX-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42759391
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
CID 3517537
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 4587400
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide (CID 42759384) is 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(OC)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide?
The InChIKey is GKSNSCQWDGNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-12-22-20(25)19-13-18(16-6-4-5-7-17(16)21)23-24(19)14-8-10-15(26-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide?
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 42759384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).