N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C13H19F3N4O — CID 119045009

IUPACN-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)N1CCC(C(F)(F)F)C1(C)C
InChIInChI=1S/C13H19F3N4O/c1-8-9(7-19(4)18-8)17-11(21)20-6-5-10(12(20,2)3)13(14,15)16/h7,10H,5-6H2,1-4H3,(H,17,21)
InChIKeySOQPXBSBIIEYQP-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.92
Rot. Bonds1

About N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 119045009) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID119045009
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)N1CCC(C(F)(F)F)C1(C)C
InChIInChI=1S/C13H19F3N4O/c1-8-9(7-19(4)18-8)17-11(21)20-6-5-10(12(20,2)3)13(14,15)16/h7,10H,5-6H2,1-4H3,(H,17,21)
InChIKeySOQPXBSBIIEYQP-UHFFFAOYSA-N
XLogP2.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]urea
CID 72864285
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 121520287
1-(2-Fluoroethyl)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 132384581
1-[2-(3,3-Dimethylpyrrolidin-1-yl)ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 138025189
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[[(1S,2S)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 164629892
(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 164630927
1-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 164633650
1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 164636152
[1-(Difluoromethyl)-3-methylpyrazol-4-yl]urea
CID 166791939
1-(1-Ethylpyrazol-4-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 51084677

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 119045009) is N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is Cc1nn(C)cc1NC(=O)N1CCC(C(F)(F)F)C1(C)C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is SOQPXBSBIIEYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8-9(7-19(4)18-8)17-11(21)20-6-5-10(12(20,2)3)13(14,15)16/h7,10H,5-6H2,1-4H3,(H,17,21).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119045009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).