2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C16H25F3N4O — CID 119044985

IUPAC2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCC(C(F)(F)F)C2(C)C)n1
InChIInChI=1S/C16H25F3N4O/c1-11(2)5-8-22-9-7-13(21-22)20-14(24)23-10-6-12(15(23,3)4)16(17,18)19/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,21,24)
InChIKeyWHSIVBGFYTYUFU-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.12
Rot. Bonds4

About 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 119044985) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID119044985
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCC(C(F)(F)F)C2(C)C)n1
InChIInChI=1S/C16H25F3N4O/c1-11(2)5-8-22-9-7-13(21-22)20-14(24)23-10-6-12(15(23,3)4)16(17,18)19/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,21,24)
InChIKeyWHSIVBGFYTYUFU-UHFFFAOYSA-N
XLogP4.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide
CID 75516293
(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 136585572
(3S)-2,2-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124852174
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124855773
N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71992095
2,2-dimethyl-N-[4-(oxetan-3-yloxy)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119045013
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
CID 115921806
3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 136516743
N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
CID 115921805
1-[1-(3-methylbutyl)pyrazol-3-yl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 91649366
N-(6-methoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044853
(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97333918

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 119044985) is 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CC(C)CCn1ccc(NC(=O)N2CCC(C(F)(F)F)C2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is WHSIVBGFYTYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-11(2)5-8-22-9-7-13(21-22)20-14(24)23-10-6-12(15(23,3)4)16(17,18)19/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,21,24).
What are the key properties of 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119044985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).