(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C17H22N4O2 — CID 94824109

IUPAC(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)nn3C)C2)cc1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(20(2)19-12)18-17(22)21-9-8-14(11-21)13-4-6-15(23-3)7-5-13/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyYITMWYKRNKEDHP-CQSZACIVSA-N
MW314.39 g/mol
LogP2.76
Rot. Bonds3

About (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 94824109) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID94824109
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)nn3C)C2)cc1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(20(2)19-12)18-17(22)21-9-8-14(11-21)13-4-6-15(23-3)7-5-13/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,22)/t14-/m1/s1
InChIKeyYITMWYKRNKEDHP-CQSZACIVSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 94451985
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
[5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 167791393
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124516055
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 42109687
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
(3S)-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 97268219
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 94824109) is (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)nn3C)C2)cc1.
What is the InChIKey of (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YITMWYKRNKEDHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-16(20(2)19-12)18-17(22)21-9-8-14(11-21)13-4-6-15(23-3)7-5-13/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,22)/t14-/m1/s1.
What are the key properties of (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94824109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).