5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide

C10H10F3N3O3 — CID 146101855

IUPAC5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CC(O)(C(F)(F)F)C2)[nH]1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)9(19)3-16(4-9)8(18)6-2-1-5(15-6)7(14)17/h1-2,15,19H,3-4H2,(H2,14,17)
InChIKeyUMQSZTQQFPOYBG-UHFFFAOYSA-N
MW277.20 g/mol
LogP-0.14
Rot. Bonds2

About 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide

5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide (PubChem CID 146101855) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide
PubChem CID146101855
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CC(O)(C(F)(F)F)C2)[nH]1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)9(19)3-16(4-9)8(18)6-2-1-5(15-6)7(14)17/h1-2,15,19H,3-4H2,(H2,14,17)
InChIKeyUMQSZTQQFPOYBG-UHFFFAOYSA-N
XLogP-0.14
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide (CID 146101855) is 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide is NC(=O)c1ccc(C(=O)N2CC(O)(C(F)(F)F)C2)[nH]1.
What is the InChIKey of 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UMQSZTQQFPOYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c11-10(12,13)9(19)3-16(4-9)8(18)6-2-1-5(15-6)7(14)17/h1-2,15,19H,3-4H2,(H2,14,17).
What are the key properties of 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide has a molecular weight of 277.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 146101855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).