N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O2 — CID 63709149

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-7-11)9(19)17-10(8-18)3-1-2-4-10/h16,18H,1-8H2,(H,17,19)
InChIKeyGPWSYYRSDQWMPL-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.95
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709149) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709149
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-7-11)9(19)17-10(8-18)3-1-2-4-10/h16,18H,1-8H2,(H,17,19)
InChIKeyGPWSYYRSDQWMPL-UHFFFAOYSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
CID 64699770
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 80749492
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164780
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709144
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709149) is N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1(CO)CCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GPWSYYRSDQWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-7-11)9(19)17-10(8-18)3-1-2-4-10/h16,18H,1-8H2,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).