(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol

C16H12Cl2N2O — CID 107329830

IUPAC(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H12Cl2N2O/c17-13-7-6-11(10-14(13)18)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10,16,21H
InChIKeyVEVXYKGKLSQVSH-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.26
Rot. Bonds3

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

(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol (PubChem CID 107329830) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
PubChem CID107329830
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H12Cl2N2O/c17-13-7-6-11(10-14(13)18)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10,16,21H
InChIKeyVEVXYKGKLSQVSH-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

(6-chloro-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330378
(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330323
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(5-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332331
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332266
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol
CID 18930317
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol (CID 107329830) is (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol is OC(c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol?
The InChIKey is VEVXYKGKLSQVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-13-7-6-11(10-14(13)18)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10,16,21H.
What are the key properties of (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol?
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-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 (3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 107329830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).