(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide

C12H18F2N4O — CID 164643032

IUPAC(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(NC(=O)[C@@H]2CC(F)(F)CN2)n[nH]1
InChIInChI=1S/C12H18F2N4O/c1-7(2)3-8-4-10(18-17-8)16-11(19)9-5-12(13,14)6-15-9/h4,7,9,15H,3,5-6H2,1-2H3,(H2,16,17,18,19)/t9-/m0/s1
InChIKeyKXGAZWBZLOUNNP-VIFPVBQESA-N
MW272.30 g/mol
LogP1.54
Rot. Bonds4

About (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide

(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 164643032) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID164643032
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(NC(=O)[C@@H]2CC(F)(F)CN2)n[nH]1
InChIInChI=1S/C12H18F2N4O/c1-7(2)3-8-4-10(18-17-8)16-11(19)9-5-12(13,14)6-15-9/h4,7,9,15H,3,5-6H2,1-2H3,(H2,16,17,18,19)/t9-/m0/s1
InChIKeyKXGAZWBZLOUNNP-VIFPVBQESA-N
XLogP1.54
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-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-N-(5-ethyl-1H-pyrazol-3-yl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72001154
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 47404991
4-methyl-N-[2-oxo-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pentanamide
CID 72147396
4,4,4-trifluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]butanamide
CID 75374688
2,2-dimethyl-N-[2-oxo-2-[[5-[(2S)-pentan-2-yl]-1H-pyrazol-3-yl]amino]ethyl]propanamide
CID 97583952
N-[3-[3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazol-5-yl]cyclobutyl]butanamide
CID 87984921
N-[5-[(1R,2R)-2-aminocyclohexyl]-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 142540718
2-(fluoroamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 144767435
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide
CID 174455347
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide
CID 175605103
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47423462
N-(5-propan-2-yl-1H-pyrazol-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47934174

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 164643032) is (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide is CC(C)Cc1cc(NC(=O)[C@@H]2CC(F)(F)CN2)n[nH]1.
What is the InChIKey of (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is KXGAZWBZLOUNNP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-7(2)3-8-4-10(18-17-8)16-11(19)9-5-12(13,14)6-15-9/h4,7,9,15H,3,5-6H2,1-2H3,(H2,16,17,18,19)/t9-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
(2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 164643032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).