N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

C15H18FN5O — CID 128796223

IUPACN-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCCC2c2ccc(F)cc2)nnn1C
InChIInChI=1S/C15H18FN5O/c1-10-14(18-19-20(10)2)17-15(22)21-9-3-4-13(21)11-5-7-12(16)8-6-11/h5-8,13H,3-4,9H2,1-2H3,(H,17,22)
InChIKeyJDNCFXMVUKCENM-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.63
Rot. Bonds2

About N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 128796223) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID128796223
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC NameN-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCCC2c2ccc(F)cc2)nnn1C
InChIInChI=1S/C15H18FN5O/c1-10-14(18-19-20(10)2)17-15(22)21-9-3-4-13(21)11-5-7-12(16)8-6-11/h5-8,13H,3-4,9H2,1-2H3,(H,17,22)
InChIKeyJDNCFXMVUKCENM-UHFFFAOYSA-N
XLogP2.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 128796223) is N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide is Cc1c(NC(=O)N2CCCC2c2ccc(F)cc2)nnn1C.
What is the InChIKey of N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is JDNCFXMVUKCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-10-14(18-19-20(10)2)17-15(22)21-9-3-4-13(21)11-5-7-12(16)8-6-11/h5-8,13H,3-4,9H2,1-2H3,(H,17,22).
What are the key properties of N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyltriazol-4-yl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128796223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).