(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol

C12H12Cl2N2O — CID 79584760

IUPAC(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCc1c(C(O)c2cccc(Cl)c2Cl)cnn1C
InChIInChI=1S/C12H12Cl2N2O/c1-7-9(6-15-16(7)2)12(17)8-4-3-5-10(13)11(8)14/h3-6,12,17H,1-2H3
InChIKeyCKHPDIYVCFTNGH-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.12
Rot. Bonds2

About (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol

(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol (PubChem CID 79584760) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
PubChem CID79584760
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCc1c(C(O)c2cccc(Cl)c2Cl)cnn1C
InChIInChI=1S/C12H12Cl2N2O/c1-7-9(6-15-16(7)2)12(17)8-4-3-5-10(13)11(8)14/h3-6,12,17H,1-2H3
InChIKeyCKHPDIYVCFTNGH-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol (CID 79584760) is (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol is Cc1c(C(O)c2cccc(Cl)c2Cl)cnn1C.
What is the InChIKey of (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
The InChIKey is CKHPDIYVCFTNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-7-9(6-15-16(7)2)12(17)8-4-3-5-10(13)11(8)14/h3-6,12,17H,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol?
(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol has a molecular weight of 271.15 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 79584760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).