(3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol

C17H15ClN2O — CID 121005639

IUPAC(3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN2O/c1-12-10-16(17(21)13-6-5-7-14(18)11-13)20(19-12)15-8-3-2-4-9-15/h2-11,17,21H,1H3
InChIKeyGTJIAYFTVRJPDL-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.92
Rot. Bonds3

About (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol

(3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol (PubChem CID 121005639) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol
PubChem CID121005639
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN2O/c1-12-10-16(17(21)13-6-5-7-14(18)11-13)20(19-12)15-8-3-2-4-9-15/h2-11,17,21H,1H3
InChIKeyGTJIAYFTVRJPDL-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol (CID 121005639) is (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol is Cc1cc(C(O)c2cccc(Cl)c2)n(-c2ccccc2)n1.
What is the InChIKey of (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol?
The InChIKey is GTJIAYFTVRJPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-10-16(17(21)13-6-5-7-14(18)11-13)20(19-12)15-8-3-2-4-9-15/h2-11,17,21H,1H3.
What are the key properties of (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol?
(3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol has a molecular weight of 298.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 121005639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).