5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide

C19H23FN4O3 — CID 75463024

IUPAC5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide
SMILESO=C(NCCOCC1CCOC1)c1nnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C19H23FN4O3/c20-15-3-5-16(6-4-15)24-18(14-1-2-14)17(22-23-24)19(25)21-8-10-27-12-13-7-9-26-11-13/h3-6,13-14H,1-2,7-12H2,(H,21,25)
InChIKeyLXHPRDZZGXWKAE-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.07
Rot. Bonds8

About 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide

5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide (PubChem CID 75463024) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide
PubChem CID75463024
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide
SMILESO=C(NCCOCC1CCOC1)c1nnn(-c2ccc(F)cc2)c1C1CC1
InChIInChI=1S/C19H23FN4O3/c20-15-3-5-16(6-4-15)24-18(14-1-2-14)17(22-23-24)19(25)21-8-10-27-12-13-7-9-26-11-13/h3-6,13-14H,1-2,7-12H2,(H,21,25)
InChIKeyLXHPRDZZGXWKAE-UHFFFAOYSA-N
XLogP2.07
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide (CID 75463024) is 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide is O=C(NCCOCC1CCOC1)c1nnn(-c2ccc(F)cc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide?
The InChIKey is LXHPRDZZGXWKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-15-3-5-16(6-4-15)24-18(14-1-2-14)17(22-23-24)19(25)21-8-10-27-12-13-7-9-26-11-13/h3-6,13-14H,1-2,7-12H2,(H,21,25).
What are the key properties of 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide?
5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 75463024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).