N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

C13H20N4O3S — CID 133128276

IUPACN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C2CC2)n1
InChIInChI=1S/C13H20N4O3S/c1-16-6-5-11(15-16)13(18)14-12-8-17(21(2,19)20)7-10(12)9-3-4-9/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,18)/t10-,12+/m0/s1
InChIKeyYJPMLOVRLYZFLQ-CMPLNLGQSA-N
MW312.40 g/mol
LogP-0.18
Rot. Bonds4

About N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 133128276) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID133128276
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C2CC2)n1
InChIInChI=1S/C13H20N4O3S/c1-16-6-5-11(15-16)13(18)14-12-8-17(21(2,19)20)7-10(12)9-3-4-9/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,18)/t10-,12+/m0/s1
InChIKeyYJPMLOVRLYZFLQ-CMPLNLGQSA-N
XLogP-0.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133130837
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 133110064
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 133126149
1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
CID 154897477
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-methylphenyl)propanamide
CID 133113007
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
CID 110127542
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane
CID 154841529
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 133128276) is N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C2CC2)n1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is YJPMLOVRLYZFLQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-16-6-5-11(15-16)13(18)14-12-8-17(21(2,19)20)7-10(12)9-3-4-9/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,18)/t10-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 133128276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).