3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol

C16H13ClN2O — CID 71400563

IUPAC3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol
SMILESCn1nc(-c2ccc(Cl)cc2)c(O)c1-c1ccccc1
InChIInChI=1S/C16H13ClN2O/c1-19-15(12-5-3-2-4-6-12)16(20)14(18-19)11-7-9-13(17)10-8-11/h2-10,20H,1H3
InChIKeyMCWGALOBIOENGQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.11
Rot. Bonds2

About 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol

3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol (PubChem CID 71400563) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol
PubChem CID71400563
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol
SMILESCn1nc(-c2ccc(Cl)cc2)c(O)c1-c1ccccc1
InChIInChI=1S/C16H13ClN2O/c1-19-15(12-5-3-2-4-6-12)16(20)14(18-19)11-7-9-13(17)10-8-11/h2-10,20H,1H3
InChIKeyMCWGALOBIOENGQ-UHFFFAOYSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol (CID 71400563) is 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol is Cn1nc(-c2ccc(Cl)cc2)c(O)c1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol?
The InChIKey is MCWGALOBIOENGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-19-15(12-5-3-2-4-6-12)16(20)14(18-19)11-7-9-13(17)10-8-11/h2-10,20H,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol?
3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol has a molecular weight of 284.75 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-5-phenylpyrazol-4-ol is sourced from PubChem (CID 71400563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).