3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol

C18H17ClN2O — CID 170887609

IUPAC3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
SMILESOCCCc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C18H17ClN2O/c19-18-16(12-7-13-22)17(14-8-3-1-4-9-14)20-21(18)15-10-5-2-6-11-15/h1-6,8-11,22H,7,12-13H2
InChIKeyCMYDHHFEMRDWMZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.12
Rot. Bonds5

About 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol

3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol (PubChem CID 170887609) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
PubChem CID170887609
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
SMILESOCCCc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C18H17ClN2O/c19-18-16(12-7-13-22)17(14-8-3-1-4-9-14)20-21(18)15-10-5-2-6-11-15/h1-6,8-11,22H,7,12-13H2
InChIKeyCMYDHHFEMRDWMZ-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

3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
CID 54099322
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 54421262
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
CID 21418346
3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
benzyl 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
CID 54487147
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 111449274
[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol
CID 65349369
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol (CID 170887609) is 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol is OCCCc1c(-c2ccccc2)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol?
The InChIKey is CMYDHHFEMRDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-18-16(12-7-13-22)17(14-8-3-1-4-9-14)20-21(18)15-10-5-2-6-11-15/h1-6,8-11,22H,7,12-13H2.
What are the key properties of 3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol?
3-(5-chloro-1,3-diphenylpyrazol-4-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-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 170887609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).