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

C18H14Cl2N2O2 — CID 14622791

IUPAC(2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-24-15-8-7-13(16(19)17(15)20)18(23)14-9-10-21-22(14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyALMSVYRWGJDKRN-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.48
Rot. Bonds5

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

(2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone (PubChem CID 14622791) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone
PubChem CID14622791
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name(2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccnn2Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H14Cl2N2O2/c1-24-15-8-7-13(16(19)17(15)20)18(23)14-9-10-21-22(14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyALMSVYRWGJDKRN-UHFFFAOYSA-N
XLogP4.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone?
The IUPAC name of (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone (CID 14622791) is (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone?
The canonical SMILES for (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccnn2Cc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone?
The InChIKey is ALMSVYRWGJDKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-24-15-8-7-13(16(19)17(15)20)18(23)14-9-10-21-22(14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone?
(2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone has a molecular weight of 361.23 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrazol-3-yl)-(2,3-dichloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 14622791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).