(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol

C17H15Cl2N3O — CID 86724146

IUPAC(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol
SMILESCc1cc(Cl)ccc1C(O)c1c(-c2ccccn2)nn(C)c1Cl
InChIInChI=1S/C17H15Cl2N3O/c1-10-9-11(18)6-7-12(10)16(23)14-15(21-22(2)17(14)19)13-5-3-4-8-20-13/h3-9,16,23H,1-2H3
InChIKeyBSJUSOCSJDKWMD-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.18
Rot. Bonds3

About (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol

(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol (PubChem CID 86724146) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol
PubChem CID86724146
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol
SMILESCc1cc(Cl)ccc1C(O)c1c(-c2ccccn2)nn(C)c1Cl
InChIInChI=1S/C17H15Cl2N3O/c1-10-9-11(18)6-7-12(10)16(23)14-15(21-22(2)17(14)19)13-5-3-4-8-20-13/h3-9,16,23H,1-2H3
InChIKeyBSJUSOCSJDKWMD-UHFFFAOYSA-N
XLogP4.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol (CID 86724146) is (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol is Cc1cc(Cl)ccc1C(O)c1c(-c2ccccn2)nn(C)c1Cl.
What is the InChIKey of (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol?
The InChIKey is BSJUSOCSJDKWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-10-9-11(18)6-7-12(10)16(23)14-15(21-22(2)17(14)19)13-5-3-4-8-20-13/h3-9,16,23H,1-2H3.
What are the key properties of (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol?
(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol has a molecular weight of 348.23 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 86724146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).