4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

C11H13F5N4O — CID 120955108

IUPAC4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)C2CC(F)(F)CN2)c(C(F)(F)F)n1
InChIInChI=1S/C11H13F5N4O/c1-20-4-6(8(19-20)11(14,15)16)3-17-9(21)7-2-10(12,13)5-18-7/h4,7,18H,2-3,5H2,1H3,(H,17,21)
InChIKeyHAWGWHUYBYPKFO-UHFFFAOYSA-N
MW312.24 g/mol
LogP1.05
Rot. Bonds3

About 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120955108) has the molecular formula C11H13F5N4O and a molecular weight of 312.24 g/mol. Its IUPAC name is 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120955108
Molecular FormulaC11H13F5N4O
Molecular Weight312.24 g/mol
Exact Mass312.10
IUPAC Name4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCn1cc(CNC(=O)C2CC(F)(F)CN2)c(C(F)(F)F)n1
InChIInChI=1S/C11H13F5N4O/c1-20-4-6(8(19-20)11(14,15)16)3-17-9(21)7-2-10(12,13)5-18-7/h4,7,18H,2-3,5H2,1H3,(H,17,21)
InChIKeyHAWGWHUYBYPKFO-UHFFFAOYSA-N
XLogP1.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 71855102
4-[1-(1-Propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 75515362
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 138001505
(3S)-3-methyl-4-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]-1,4-diazepan-2-one
CID 164630035
(5S)-2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 164630835
(2S)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164632461
1-(2,2-difluoroethyl)-N-ethyl-3-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 164635018
2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)acetamide
CID 177679799
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 4437626
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4773433

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 120955108) is 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is Cn1cc(CNC(=O)C2CC(F)(F)CN2)c(C(F)(F)F)n1.
What is the InChIKey of 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HAWGWHUYBYPKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N4O/c1-20-4-6(8(19-20)11(14,15)16)3-17-9(21)7-2-10(12,13)5-18-7/h4,7,18H,2-3,5H2,1H3,(H,17,21).
What are the key properties of 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 312.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120955108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).