N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide

C9H11F3N2O2 — CID 141125916

IUPACN-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-8(16,9(10,11)12)5-14-7(15)6-2-3-13-4-6/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyJGWNZASPNRZWGS-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.06
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide

N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide (PubChem CID 141125916) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide
PubChem CID141125916
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC NameN-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-8(16,9(10,11)12)5-14-7(15)6-2-3-13-4-6/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyJGWNZASPNRZWGS-UHFFFAOYSA-N
XLogP1.06
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19067979
CID 19067979
CID 23057984
CID 23057984
CID 129348654
CID 129348654
CID 67965401
CID 67965401
CID 68517955
CID 68517955
CID 91345504
CID 91345504
CID 119092408
CID 119092408
CID 127008680
CID 127008680
CID 140457084
CID 140457084
CID 141125893
CID 141125893
CID 145848262
CID 145848262
CID 154245523
CID 154245523

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide (CID 141125916) is N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide is CC(O)(CNC(=O)c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide?
The InChIKey is JGWNZASPNRZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-8(16,9(10,11)12)5-14-7(15)6-2-3-13-4-6/h2-4,13,16H,5H2,1H3,(H,14,15).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide has a molecular weight of 236.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141125916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).