N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide

C15H18FN5O — CID 46997279

IUPACN-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCn1cnc(NC(=O)N2CCC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C15H18FN5O/c1-2-21-10-17-14(19-21)18-15(22)20-8-7-12(9-20)11-3-5-13(16)6-4-11/h3-6,10,12H,2,7-9H2,1H3,(H,18,19,22)
InChIKeyHNYQLCOLTBFLIS-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.46
Rot. Bonds3

About N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide

N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 46997279) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID46997279
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC NameN-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCn1cnc(NC(=O)N2CCC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C15H18FN5O/c1-2-21-10-17-14(19-21)18-15(22)20-8-7-12(9-20)11-3-5-13(16)6-4-11/h3-6,10,12H,2,7-9H2,1H3,(H,18,19,22)
InChIKeyHNYQLCOLTBFLIS-UHFFFAOYSA-N
XLogP2.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 46997279) is N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide is CCn1cnc(NC(=O)N2CCC(c3ccc(F)cc3)C2)n1.
What is the InChIKey of N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is HNYQLCOLTBFLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-2-21-10-17-14(19-21)18-15(22)20-8-7-12(9-20)11-3-5-13(16)6-4-11/h3-6,10,12H,2,7-9H2,1H3,(H,18,19,22).
What are the key properties of N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide?
N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 46997279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).