N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C18H21FN4O — CID 71932410

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1nncn1C1CC1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H21FN4O/c19-14-5-3-13(4-6-14)18(9-1-2-10-18)17(24)20-11-16-22-21-12-23(16)15-7-8-15/h3-6,12,15H,1-2,7-11H2,(H,20,24)
InChIKeyVQBVAFNETCMWKK-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.88
Rot. Bonds5

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 71932410) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID71932410
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1nncn1C1CC1)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H21FN4O/c19-14-5-3-13(4-6-14)18(9-1-2-10-18)17(24)20-11-16-22-21-12-23(16)15-7-8-15/h3-6,12,15H,1-2,7-11H2,(H,20,24)
InChIKeyVQBVAFNETCMWKK-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 71932410) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is O=C(NCc1nncn1C1CC1)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is VQBVAFNETCMWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-14-5-3-13(4-6-14)18(9-1-2-10-18)17(24)20-11-16-22-21-12-23(16)15-7-8-15/h3-6,12,15H,1-2,7-11H2,(H,20,24).
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 71932410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).