2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol

C17H23ClN2O — CID 66059308

IUPAC2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
SMILESCCc1cc(CC(CO)Cc2ccccc2Cl)n(CC)n1
InChIInChI=1S/C17H23ClN2O/c1-3-15-11-16(20(4-2)19-15)10-13(12-21)9-14-7-5-6-8-17(14)18/h5-8,11,13,21H,3-4,9-10,12H2,1-2H3
InChIKeyRRPBSJGQTCVPAN-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.51
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol

2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol (PubChem CID 66059308) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
PubChem CID66059308
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
SMILESCCc1cc(CC(CO)Cc2ccccc2Cl)n(CC)n1
InChIInChI=1S/C17H23ClN2O/c1-3-15-11-16(20(4-2)19-15)10-13(12-21)9-14-7-5-6-8-17(14)18/h5-8,11,13,21H,3-4,9-10,12H2,1-2H3
InChIKeyRRPBSJGQTCVPAN-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-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

5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 66050345
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-3-ethyl-1-methylpyrazole
CID 66048380
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059722
1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001665
2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79454682
[1-(2-chlorophenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105209436
2-(3-chlorophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431093
(1S)-1-(2-chlorophenyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 81378307
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
1-(2-chloro-6-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001764
[1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105207014

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol (CID 66059308) is 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol is CCc1cc(CC(CO)Cc2ccccc2Cl)n(CC)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
The InChIKey is RRPBSJGQTCVPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-3-15-11-16(20(4-2)19-15)10-13(12-21)9-14-7-5-6-8-17(14)18/h5-8,11,13,21H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol?
2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol has a molecular weight of 306.84 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 66059308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).