4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide

C18H24N4O2 — CID 111750800

IUPAC4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-11(9-12(2)23)10-19-18(24)15-7-5-14(6-8-15)17-20-16(21-22-17)13-3-4-13/h5-8,11-13,23H,3-4,9-10H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyUCLNNYYCKFELGY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.49
Rot. Bonds7

About 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide

4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide (PubChem CID 111750800) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide
PubChem CID111750800
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-11(9-12(2)23)10-19-18(24)15-7-5-14(6-8-15)17-20-16(21-22-17)13-3-4-13/h5-8,11-13,23H,3-4,9-10H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyUCLNNYYCKFELGY-UHFFFAOYSA-N
XLogP2.49
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 56519582
N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 166182463
N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540039
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 98792947
N-(2-cyanoethyl)-4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-ethylbenzamide
CID 71974247
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447534
1-[1-(2-chlorophenyl)ethyl]-3-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylurea
CID 56519837
(1-methylimidazol-2-yl)methyl 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)benzoate
CID 75509716
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanoic acid
CID 119958609
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881608
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide (CID 111750800) is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide is CC(O)CC(C)CNC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide?
The InChIKey is UCLNNYYCKFELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(9-12(2)23)10-19-18(24)15-7-5-14(6-8-15)17-20-16(21-22-17)13-3-4-13/h5-8,11-13,23H,3-4,9-10H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide?
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(4-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 111750800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).