2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol

C16H21ClN2O2 — CID 79445106

IUPAC2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol
SMILESCCn1nc(C)cc1CC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-3-19-13(8-12(2)18-19)9-16(10-20,11-21)14-6-4-5-7-15(14)17/h4-8,20-21H,3,9-11H2,1-2H3
InChIKeyCXSTWJMZLJGMET-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.33
Rot. Bonds6

About 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol

2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol (PubChem CID 79445106) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol
PubChem CID79445106
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol
SMILESCCn1nc(C)cc1CC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-3-19-13(8-12(2)18-19)9-16(10-20,11-21)14-6-4-5-7-15(14)17/h4-8,20-21H,3,9-11H2,1-2H3
InChIKeyCXSTWJMZLJGMET-UHFFFAOYSA-N
XLogP2.33
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol 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

2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506152
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 79444422
5-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79446601
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
[1-(2-chlorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105209436
5-[2-(chloromethyl)-2-ethylbutyl]-1-ethyl-3-methylpyrazole
CID 66035159
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102
2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
CID 106324290
5-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79444052
5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79443805
2-[(3-chloro-4-pyridinyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450406

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol (CID 79445106) is 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol is CCn1nc(C)cc1CC(CO)(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol?
The InChIKey is CXSTWJMZLJGMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-3-19-13(8-12(2)18-19)9-16(10-20,11-21)14-6-4-5-7-15(14)17/h4-8,20-21H,3,9-11H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol?
2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol has a molecular weight of 308.81 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 79445106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).