4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide

C9H12F3N3O2 — CID 61114256

IUPAC4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)5-15(1-2-16)8(17)7-3-6(13)4-14-7/h3-4,14,16H,1-2,5,13H2
InChIKeySBZMJOGTGJAVBQ-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.59
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide (PubChem CID 61114256) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
PubChem CID61114256
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)5-15(1-2-16)8(17)7-3-6(13)4-14-7/h3-4,14,16H,1-2,5,13H2
InChIKeySBZMJOGTGJAVBQ-UHFFFAOYSA-N
XLogP0.59
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61109060
4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 61107667
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 113339799
N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103915507
4-amino-N,N-bis(cyanomethyl)-1H-pyrrole-2-carboxamide
CID 43642564
4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
3-amino-2,5-difluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61116148
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 107483356
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridazine-3-carboxamide
CID 113339822

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide (CID 61114256) is 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is SBZMJOGTGJAVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)5-15(1-2-16)8(17)7-3-6(13)4-14-7/h3-4,14,16H,1-2,5,13H2.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 251.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61114256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).