(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone

C18H16N2O2 — CID 11098321

IUPAC(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
SMILESCOc1c(C(=O)c2ccccc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13-16(17(21)14-9-5-3-6-10-14)18(22-2)20(19-13)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyJUCJOYDMBCYUJP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.42
Rot. Bonds4

About (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone

(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone (PubChem CID 11098321) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
PubChem CID11098321
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
SMILESCOc1c(C(=O)c2ccccc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13-16(17(21)14-9-5-3-6-10-14)18(22-2)20(19-13)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyJUCJOYDMBCYUJP-UHFFFAOYSA-N
XLogP3.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone (CID 11098321) is (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone is COc1c(C(=O)c2ccccc2)c(C)nn1-c1ccccc1.
What is the InChIKey of (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
The InChIKey is JUCJOYDMBCYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-16(17(21)14-9-5-3-6-10-14)18(22-2)20(19-13)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone has a molecular weight of 292.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 11098321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).