(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide

C18H25N5O — CID 128987227

IUPAC(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)c1nn(C)cc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C18H25N5O/c1-12(2)17-15(11-22(4)21-17)20-18(24)14-10-23(9-13(14)3)16-7-5-6-8-19-16/h5-8,11-14H,9-10H2,1-4H3,(H,20,24)/t13-,14-/m1/s1
InChIKeyRNCHIINZBUSTJV-ZIAGYGMSSA-N
MW327.43 g/mol
LogP2.65
Rot. Bonds4

About (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 128987227) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID128987227
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)c1nn(C)cc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C18H25N5O/c1-12(2)17-15(11-22(4)21-17)20-18(24)14-10-23(9-13(14)3)16-7-5-6-8-19-16/h5-8,11-14H,9-10H2,1-4H3,(H,20,24)/t13-,14-/m1/s1
InChIKeyRNCHIINZBUSTJV-ZIAGYGMSSA-N
XLogP2.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-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

(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977351
(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
(3S,4S)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128984281
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 136581855
(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 167792405
(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977916
(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154814596
(3S,4S)-1-benzyl-N-(1,3-dimethylpyrazol-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 128984584
methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
CID 130477952
(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 138025188
3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one
CID 128987415
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395378

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide (CID 128987227) is (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide is CC(C)c1nn(C)cc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C.
What is the InChIKey of (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RNCHIINZBUSTJV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12(2)17-15(11-22(4)21-17)20-18(24)14-10-23(9-13(14)3)16-7-5-6-8-19-16/h5-8,11-14H,9-10H2,1-4H3,(H,20,24)/t13-,14-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128987227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).