3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide

C22H24N4O — CID 126772957

IUPAC3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC2)cc1C
InChIInChI=1S/C22H24N4O/c1-15-8-9-17(12-16(15)2)21-20(22(27)24-18-10-11-23-13-18)14-26(25-21)19-6-4-3-5-7-19/h3-9,12,14,18,23H,10-11,13H2,1-2H3,(H,24,27)
InChIKeyFKSXVEWJJNUMPP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.25
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide

3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide (PubChem CID 126772957) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
PubChem CID126772957
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC2)cc1C
InChIInChI=1S/C22H24N4O/c1-15-8-9-17(12-16(15)2)21-20(22(27)24-18-10-11-23-13-18)14-26(25-21)19-6-4-3-5-7-19/h3-9,12,14,18,23H,10-11,13H2,1-2H3,(H,24,27)
InChIKeyFKSXVEWJJNUMPP-UHFFFAOYSA-N
XLogP3.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120558047
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 9224757
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696
3-(4-methoxyphenyl)-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 120602000
3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120557405
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
3-(3,4-dimethylphenyl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 55869482

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide (CID 126772957) is 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCNC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The InChIKey is FKSXVEWJJNUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-8-9-17(12-16(15)2)21-20(22(27)24-18-10-11-23-13-18)14-26(25-21)19-6-4-3-5-7-19/h3-9,12,14,18,23H,10-11,13H2,1-2H3,(H,24,27).
What are the key properties of 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 126772957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).