5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide

C13H18F2N4O2 — CID 164632429

IUPAC5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)N1C[C@@H](NC(=O)c2cc(C(F)F)n(C)n2)CC1=O
InChIInChI=1S/C13H18F2N4O2/c1-7(2)19-6-8(4-11(19)20)16-13(21)9-5-10(12(14)15)18(3)17-9/h5,7-8,12H,4,6H2,1-3H3,(H,16,21)/t8-/m0/s1
InChIKeyJXZFZKHYVAQSQA-QMMMGPOBSA-N
MW300.31 g/mol
LogP1.10
Rot. Bonds4

About 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide

5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 164632429) has the molecular formula C13H18F2N4O2 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID164632429
Molecular FormulaC13H18F2N4O2
Molecular Weight300.31 g/mol
Exact Mass300.14
IUPAC Name5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)N1C[C@@H](NC(=O)c2cc(C(F)F)n(C)n2)CC1=O
InChIInChI=1S/C13H18F2N4O2/c1-7(2)19-6-8(4-11(19)20)16-13(21)9-5-10(12(14)15)18(3)17-9/h5,7-8,12H,4,6H2,1-3H3,(H,16,21)/t8-/m0/s1
InChIKeyJXZFZKHYVAQSQA-QMMMGPOBSA-N
XLogP1.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3453921
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 162664964
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073
2-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 72210834
2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
CID 162540442
N,1-dimethyl-5-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 4771573

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide (CID 164632429) is 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide is CC(C)N1C[C@@H](NC(=O)c2cc(C(F)F)n(C)n2)CC1=O.
What is the InChIKey of 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is JXZFZKHYVAQSQA-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H18F2N4O2/c1-7(2)19-6-8(4-11(19)20)16-13(21)9-5-10(12(14)15)18(3)17-9/h5,7-8,12H,4,6H2,1-3H3,(H,16,21)/t8-/m0/s1.
What are the key properties of 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide?
5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-methyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 164632429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).