[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol

C16H12Cl2N2O — CID 3840469

IUPAC[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-12-6-7-14(15(18)8-12)16-11(10-21)9-20(19-16)13-4-2-1-3-5-13/h1-9,21H,10H2
InChIKeyVBLNIBGMKUEXDH-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.34
Rot. Bonds3

About [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol

[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 3840469) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID3840469
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O/c17-12-6-7-14(15(18)8-12)16-11(10-21)9-20(19-16)13-4-2-1-3-5-13/h1-9,21H,10H2
InChIKeyVBLNIBGMKUEXDH-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol (CID 3840469) is [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol is OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is VBLNIBGMKUEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-12-6-7-14(15(18)8-12)16-11(10-21)9-20(19-16)13-4-2-1-3-5-13/h1-9,21H,10H2.
What are the key properties of [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 319.19 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 3840469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).