7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid

C18H24ClN3O4 — CID 19914648

IUPAC7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)c1nnn(-c2ccc(Cl)cc2)c1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C18H24ClN3O4/c1-11(2)18-16(8-7-14(23)9-15(24)10-17(25)26)22(21-20-18)13-5-3-12(19)4-6-13/h3-6,11,14-15,23-24H,7-10H2,1-2H3,(H,25,26)
InChIKeyQLCKPHFDHJWJCD-UHFFFAOYSA-N
MW381.86 g/mol
LogP2.56
Rot. Bonds9

About 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid

7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 19914648) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid
PubChem CID19914648
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)c1nnn(-c2ccc(Cl)cc2)c1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C18H24ClN3O4/c1-11(2)18-16(8-7-14(23)9-15(24)10-17(25)26)22(21-20-18)13-5-3-12(19)4-6-13/h3-6,11,14-15,23-24H,7-10H2,1-2H3,(H,25,26)
InChIKeyQLCKPHFDHJWJCD-UHFFFAOYSA-N
XLogP2.56
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid (CID 19914648) is 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid is CC(C)c1nnn(-c2ccc(Cl)cc2)c1CCC(O)CC(O)CC(=O)O.
What is the InChIKey of 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is QLCKPHFDHJWJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c1-11(2)18-16(8-7-14(23)9-15(24)10-17(25)26)22(21-20-18)13-5-3-12(19)4-6-13/h3-6,11,14-15,23-24H,7-10H2,1-2H3,(H,25,26).
What are the key properties of 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid?
7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 381.86 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 19914648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).