3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol

C19H18ClN3O — CID 44576636

IUPAC3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1c(-c2cccc(O)c2)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H18ClN3O/c1-23-17(13-4-2-5-16(24)12-13)21-22-18(23)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12,24H,3,10-11H2,1H3
InChIKeyPIMSKOVVWSNBGX-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.31
Rot. Bonds3

About 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol

3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol (PubChem CID 44576636) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol
PubChem CID44576636
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol
SMILESCn1c(-c2cccc(O)c2)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H18ClN3O/c1-23-17(13-4-2-5-16(24)12-13)21-22-18(23)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12,24H,3,10-11H2,1H3
InChIKeyPIMSKOVVWSNBGX-UHFFFAOYSA-N
XLogP4.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenol
CID 135612240
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(2-(trifluoromethoxy)phenyl)-4H-1,2,4-triazole
CID 10250842
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
CID 10473292
3-(1-(4-chlorophenyl)cyclobutyl)-5-(3-fluoro-4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
CID 10474399
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-(trifluoromethoxy)phenyl)-4H-1,2,4-triazole
CID 11742158
2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenol
CID 135465949
4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-2-fluorophenol
CID 135492551
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(3-(trifluoromethoxy)phenyl)-4H-1,2,4-triazole
CID 44576637
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-phenoxyphenyl)-4H-1,2,4-triazole
CID 44576802
3-[1-(4-Chlorophenyl)-3-fluorocyclobutyl]-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 10387725
3-[1-(4-Chlorophenyl)-3-fluorocyclobutyl]-4-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 20724892
3-Chloro-4-[5-[4-(2-fluoroethyl)-1-bicyclo[2.2.2]octanyl]-4-methyl-1,2,4-triazol-3-yl]phenol
CID 135540492

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol (CID 44576636) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol is Cn1c(-c2cccc(O)c2)nnc1C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is PIMSKOVVWSNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-23-17(13-4-2-5-16(24)12-13)21-22-18(23)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12,24H,3,10-11H2,1H3.
What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol?
3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 339.83 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 44576636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).