(4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone

C18H15ClN2O2 — CID 2740627

IUPAC(4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone
SMILESCOc1ccc(-c2cn(C(=O)c3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-17(13-5-9-16(23-2)10-6-13)11-21(20-12)18(22)14-3-7-15(19)8-4-14/h3-11H,1-2H3
InChIKeyDLAQXUQEYMWNOO-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.21
Rot. Bonds3

About (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone

(4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone (PubChem CID 2740627) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone
PubChem CID2740627
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone
SMILESCOc1ccc(-c2cn(C(=O)c3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-17(13-5-9-16(23-2)10-6-13)11-21(20-12)18(22)14-3-7-15(19)8-4-14/h3-11H,1-2H3
InChIKeyDLAQXUQEYMWNOO-UHFFFAOYSA-N
XLogP4.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone (CID 2740627) is (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone is COc1ccc(-c2cn(C(=O)c3ccc(Cl)cc3)nc2C)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone?
The InChIKey is DLAQXUQEYMWNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-17(13-5-9-16(23-2)10-6-13)11-21(20-12)18(22)14-3-7-15(19)8-4-14/h3-11H,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone?
(4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone has a molecular weight of 326.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]methanone is sourced from PubChem (CID 2740627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).