3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide

C17H20FN5O — CID 91905141

IUPAC3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C17H20FN5O/c1-11-14(18)3-2-4-15(11)20-17(24)22-8-7-13(9-22)23-10-19-21-16(23)12-5-6-12/h2-4,10,12-13H,5-9H2,1H3,(H,20,24)
InChIKeyHUZFJEUCTLFFNV-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.08
Rot. Bonds3

About 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide

3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 91905141) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID91905141
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C17H20FN5O/c1-11-14(18)3-2-4-15(11)20-17(24)22-8-7-13(9-22)23-10-19-21-16(23)12-5-6-12/h2-4,10,12-13H,5-9H2,1H3,(H,20,24)
InChIKeyHUZFJEUCTLFFNV-UHFFFAOYSA-N
XLogP3.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide (CID 91905141) is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide is Cc1c(F)cccc1NC(=O)N1CCC(n2cnnc2C2CC2)C1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HUZFJEUCTLFFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-11-14(18)3-2-4-15(11)20-17(24)22-8-7-13(9-22)23-10-19-21-16(23)12-5-6-12/h2-4,10,12-13H,5-9H2,1H3,(H,20,24).
What are the key properties of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide?
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluoro-2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91905141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).