(2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone

C12H10Cl2N2O2 — CID 14622790

IUPAC(2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2C)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-16-8(5-6-15-16)12(17)7-3-4-9(18-2)11(14)10(7)13/h3-6H,1-2H3
InChIKeyVHOUOUYSZBCNEV-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.97
Rot. Bonds3

About (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone

(2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 14622790) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
PubChem CID14622790
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name(2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2C)c(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-16-8(5-6-15-16)12(17)7-3-4-9(18-2)11(14)10(7)13/h3-6H,1-2H3
InChIKeyVHOUOUYSZBCNEV-UHFFFAOYSA-N
XLogP2.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone (CID 14622790) is (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone is COc1ccc(C(=O)c2ccnn2C)c(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is VHOUOUYSZBCNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-16-8(5-6-15-16)12(17)7-3-4-9(18-2)11(14)10(7)13/h3-6H,1-2H3.
What are the key properties of (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone?
(2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 285.13 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 14622790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).