N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide

C17H19FN4O — CID 56823298

IUPACN-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCC(C1CC1)N(C(=O)c1cn(-c2ccc(F)cc2)nn1)C1CC1
InChIInChI=1S/C17H19FN4O/c1-11(12-2-3-12)22(15-8-9-15)17(23)16-10-21(20-19-16)14-6-4-13(18)5-7-14/h4-7,10-12,15H,2-3,8-9H2,1H3
InChIKeyDDHRHMALRWWPMA-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.81
Rot. Bonds5

About N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide

N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 56823298) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID56823298
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESCC(C1CC1)N(C(=O)c1cn(-c2ccc(F)cc2)nn1)C1CC1
InChIInChI=1S/C17H19FN4O/c1-11(12-2-3-12)22(15-8-9-15)17(23)16-10-21(20-19-16)14-6-4-13(18)5-7-14/h4-7,10-12,15H,2-3,8-9H2,1H3
InChIKeyDDHRHMALRWWPMA-UHFFFAOYSA-N
XLogP2.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985711
N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(4-fluorophenyl)-N-methyltriazole-4-carboxamide
CID 124734264
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
CID 111596473
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 125150672
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 78860126
(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 53491083
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
CID 111480696
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
[1-(4-fluorophenyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 167776575
1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 95907391
N-cyclopropyl-N-(1-cyclopropylethyl)-1,8-naphthyridine-2-carboxamide
CID 126838589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide (CID 56823298) is N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide is CC(C1CC1)N(C(=O)c1cn(-c2ccc(F)cc2)nn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is DDHRHMALRWWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-11(12-2-3-12)22(15-8-9-15)17(23)16-10-21(20-19-16)14-6-4-13(18)5-7-14/h4-7,10-12,15H,2-3,8-9H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide?
N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-cyclopropylethyl)-1-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 56823298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).