2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol

C14H17ClN2O — CID 79437814

IUPAC2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
SMILESCCn1cc(CC(CO)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H17ClN2O/c1-2-17-9-11(8-16-17)7-13(10-18)12-3-5-14(15)6-4-12/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyKMRUUTNXMTWHFS-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol

2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol (PubChem CID 79437814) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
PubChem CID79437814
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
SMILESCCn1cc(CC(CO)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H17ClN2O/c1-2-17-9-11(8-16-17)7-13(10-18)12-3-5-14(15)6-4-12/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyKMRUUTNXMTWHFS-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-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

2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79438146
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
CID 79440235
4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
CID 79437493
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 166236553
2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79436107
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
N-[1-(3,5-dichlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822802
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol (CID 79437814) is 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol is CCn1cc(CC(CO)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol?
The InChIKey is KMRUUTNXMTWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-17-9-11(8-16-17)7-13(10-18)12-3-5-14(15)6-4-12/h3-6,8-9,13,18H,2,7,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol?
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol has a molecular weight of 264.76 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 79437814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).