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

C16H18FN5O — CID 91914763

IUPAC3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C16H18FN5O/c17-12-2-1-3-13(8-12)19-16(23)21-7-6-14(9-21)22-10-18-20-15(22)11-4-5-11/h1-3,8,10-11,14H,4-7,9H2,(H,19,23)
InChIKeyCINXVCLYGRZOAQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.77
Rot. Bonds3

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

3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 91914763) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID91914763
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(n2cnnc2C2CC2)C1
InChIInChI=1S/C16H18FN5O/c17-12-2-1-3-13(8-12)19-16(23)21-7-6-14(9-21)22-10-18-20-15(22)11-4-5-11/h1-3,8,10-11,14H,4-7,9H2,(H,19,23)
InChIKeyCINXVCLYGRZOAQ-UHFFFAOYSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.77
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-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 91914763) is 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCC(n2cnnc2C2CC2)C1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is CINXVCLYGRZOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-12-2-1-3-13(8-12)19-16(23)21-7-6-14(9-21)22-10-18-20-15(22)11-4-5-11/h1-3,8,10-11,14H,4-7,9H2,(H,19,23).
What are the key properties of 3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide?
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.77, 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-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91914763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).