(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol

C20H21ClN2O2 — CID 7347345

IUPAC(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCc1nn(C[C@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-20(21)15(2)23(22-14)12-18(24)13-25-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18,24H,12-13H2,1-2H3/t18-/m0/s1
InChIKeyYZFZKDCCPMRSAJ-SFHVURJKSA-N
MW356.85 g/mol
LogP4.26
Rot. Bonds6

About (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol

(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 7347345) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
PubChem CID7347345
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESCc1nn(C[C@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-20(21)15(2)23(22-14)12-18(24)13-25-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18,24H,12-13H2,1-2H3/t18-/m0/s1
InChIKeyYZFZKDCCPMRSAJ-SFHVURJKSA-N
XLogP4.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol (CID 7347345) is (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol is Cc1nn(C[C@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1Cl.
What is the InChIKey of (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is YZFZKDCCPMRSAJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-20(21)15(2)23(22-14)12-18(24)13-25-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18,24H,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 356.85 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 7347345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).