1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

C15H19ClN2O2 — CID 86807083

IUPAC1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)COc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C15H19ClN2O2/c1-10-11(2)17-18(12(10)3)8-14(19)9-20-15-6-4-13(16)5-7-15/h4-7,14,19H,8-9H2,1-3H3
InChIKeyKVLIZLFLOWPSEW-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (PubChem CID 86807083) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
PubChem CID86807083
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)COc2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C15H19ClN2O2/c1-10-11(2)17-18(12(10)3)8-14(19)9-20-15-6-4-13(16)5-7-15/h4-7,14,19H,8-9H2,1-3H3
InChIKeyKVLIZLFLOWPSEW-UHFFFAOYSA-N
XLogP2.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol 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

(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 7347345
1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 4919023
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol
CID 121335161
N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973802
(2S)-1-(4-chlorophenoxy)-3-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
CID 32768070
1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 109411962
1-(4-chlorophenoxy)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ol
CID 105109545
(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
(2R)-1-methylsulfanyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 100688738
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (CID 86807083) is 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is Cc1nn(CC(O)COc2ccc(Cl)cc2)c(C)c1C.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is KVLIZLFLOWPSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-11(2)17-18(12(10)3)8-14(19)9-20-15-6-4-13(16)5-7-15/h4-7,14,19H,8-9H2,1-3H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 294.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 86807083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).