3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol

C18H17ClN2O — CID 14497415

IUPAC3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H17ClN2O/c19-15-10-8-14(9-11-15)18-13-16(5-4-12-22)20-21(18)17-6-2-1-3-7-17/h1-3,6-11,13,22H,4-5,12H2
InChIKeySIBBWQCNJVAKJZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.12
Rot. Bonds5

About 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol

3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol (PubChem CID 14497415) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol
PubChem CID14497415
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H17ClN2O/c19-15-10-8-14(9-11-15)18-13-16(5-4-12-22)20-21(18)17-6-2-1-3-7-17/h1-3,6-11,13,22H,4-5,12H2
InChIKeySIBBWQCNJVAKJZ-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Diphenyl-3-(2-hydroxyethyl)-4-ethylpyrazole
CID 5327639
3-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 9883653
3-(4-Chloro-phenyl)-1-phenyl-4,5,6,7-tetrahydro-1H-indazole
CID 9948569
3-(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370597
5-(4-Chlorophenyl)-1,3-diphenylpyrazole
CID 280869
1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol
CID 71654047
3-[5-(3,5-Dichlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 164620746
3-(4-Chloro-phenyl)-1-phenyl-1,4,5,6-tetrahydro-cyclopentapyrazole
CID 15453870
1,3-bis(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370626
(3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3840469
1,3-Bis(4-chlorophenyl)-1H-pyrazole-4-methanol
CID 3525246
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]ethanol
CID 50908375

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol (CID 14497415) is 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol is OCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol?
The InChIKey is SIBBWQCNJVAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-15-10-8-14(9-11-15)18-13-16(5-4-12-22)20-21(18)17-6-2-1-3-7-17/h1-3,6-11,13,22H,4-5,12H2.
What are the key properties of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol?
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol has a molecular weight of 312.80 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 14497415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).