(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol

C16H12Cl2N2O — CID 61088968

IUPAC(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H12Cl2N2O/c17-13-6-11(7-14(18)8-13)16(21)12-9-19-20(10-12)15-4-2-1-3-5-15/h1-10,16,21H
InChIKeyAQWUDVUDYHIGKH-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.26
Rot. Bonds3

About (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol

(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61088968) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID61088968
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H12Cl2N2O/c17-13-6-11(7-14(18)8-13)16(21)12-9-19-20(10-12)15-4-2-1-3-5-15/h1-10,16,21H
InChIKeyAQWUDVUDYHIGKH-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 107991164
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962
(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
CID 114994793
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79996999
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
5-[hydroxy-(1-phenylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106945907

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol (CID 61088968) is (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol is OC(c1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is AQWUDVUDYHIGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-13-6-11(7-14(18)8-13)16(21)12-9-19-20(10-12)15-4-2-1-3-5-15/h1-10,16,21H.
What are the key properties of (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol?
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 319.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).