1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide

C13H18F2N4O2 — CID 19586730

IUPAC1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCC2=O)nn1C(F)F
InChIInChI=1S/C13H18F2N4O2/c1-9-8-10(17-19(9)13(14)15)12(21)16-5-3-7-18-6-2-4-11(18)20/h8,13H,2-7H2,1H3,(H,16,21)
InChIKeyXKNYRFLPJIWJFU-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.33
Rot. Bonds6

About 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide

1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide (PubChem CID 19586730) has the molecular formula C13H18F2N4O2 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide
PubChem CID19586730
Molecular FormulaC13H18F2N4O2
Molecular Weight300.31 g/mol
Exact Mass300.14
IUPAC Name1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCCC2=O)nn1C(F)F
InChIInChI=1S/C13H18F2N4O2/c1-9-8-10(17-19(9)13(14)15)12(21)16-5-3-7-18-6-2-4-11(18)20/h8,13H,2-7H2,1H3,(H,16,21)
InChIKeyXKNYRFLPJIWJFU-UHFFFAOYSA-N
XLogP1.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
Pyrazole-3,5-dicarboxamide, N,N,N',N',1-pentamethyl-
CID 3035271
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
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 5140192
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
Carbamic acid, N-[[5-(aminocarbonyl)-1-methyl-1H-pyrazol-3-yl]methyl]-N-methyl-, 1,1-dimethylethyl ester
CID 117810339

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide (CID 19586730) is 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCCN2CCCC2=O)nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is XKNYRFLPJIWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O2/c1-9-8-10(17-19(9)13(14)15)12(21)16-5-3-7-18-6-2-4-11(18)20/h8,13H,2-7H2,1H3,(H,16,21).
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19586730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).