(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C14H14F3N5O — CID 99877427

IUPAC(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2ccnn2)C1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-1-3-11(4-2-10)19-13(23)21-7-5-12(9-21)22-8-6-18-20-22/h1-4,6,8,12H,5,7,9H2,(H,19,23)/t12-/m1/s1
InChIKeyMGXBCJNEOIFXSM-GFCCVEGCSA-N
MW325.29 g/mol
LogP2.78
Rot. Bonds2

About (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 99877427) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID99877427
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2ccnn2)C1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-1-3-11(4-2-10)19-13(23)21-7-5-12(9-21)22-8-6-18-20-22/h1-4,6,8,12H,5,7,9H2,(H,19,23)/t12-/m1/s1
InChIKeyMGXBCJNEOIFXSM-GFCCVEGCSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 95974335
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178
3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 90638470
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42609562
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 56823749
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 121150939
tert-butyl 3-(triazol-1-yl)pyrrolidine-1-carboxylate
CID 19005932
N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 91814777

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 99877427) is (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2ccnn2)C1.
What is the InChIKey of (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MGXBCJNEOIFXSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-14(16,17)10-1-3-11(4-2-10)19-13(23)21-7-5-12(9-21)22-8-6-18-20-22/h1-4,6,8,12H,5,7,9H2,(H,19,23)/t12-/m1/s1.
What are the key properties of (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99877427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).