N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C12H17F3N2O2 — CID 114609800

IUPACN-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCC(O)CCNC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-9(18)5-6-16-11(19)10-4-3-7-17(10)8-12(13,14)15/h3-4,7,9,18H,2,5-6,8H2,1H3,(H,16,19)
InChIKeyUOQCXJBEDDEFQV-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.94
Rot. Bonds6

About N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 114609800) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID114609800
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC NameN-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCC(O)CCNC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-9(18)5-6-16-11(19)10-4-3-7-17(10)8-12(13,14)15/h3-4,7,9,18H,2,5-6,8H2,1H3,(H,16,19)
InChIKeyUOQCXJBEDDEFQV-UHFFFAOYSA-N
XLogP1.94
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106243525
N-(4-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106120552
N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 107155217
2-hydroxy-3-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608949
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
N-pent-4-ynyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106223250
2-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]pentanoic acid
CID 114608686
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609506
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 106353019
5-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]hexanoic acid
CID 114609112
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609214
N-(4-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114696598

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 114609800) is N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CCC(O)CCNC(=O)c1cccn1CC(F)(F)F.
What is the InChIKey of N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is UOQCXJBEDDEFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-2-9(18)5-6-16-11(19)10-4-3-7-17(10)8-12(13,14)15/h3-4,7,9,18H,2,5-6,8H2,1H3,(H,16,19).
What are the key properties of N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).