4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide

C16H21N3O2 — CID 49176274

IUPAC4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(CC(C)C)nn2C)cc1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-13-10-15(19(3)18-13)17-16(20)12-5-7-14(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,17,20)
InChIKeyFOQDZUICIIIPLG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.88
Rot. Bonds5

About 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide

4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide (PubChem CID 49176274) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
PubChem CID49176274
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(CC(C)C)nn2C)cc1
InChIInChI=1S/C16H21N3O2/c1-11(2)9-13-10-15(19(3)18-13)17-16(20)12-5-7-14(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,17,20)
InChIKeyFOQDZUICIIIPLG-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide (CID 49176274) is 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide is COc1ccc(C(=O)Nc2cc(CC(C)C)nn2C)cc1.
What is the InChIKey of 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The InChIKey is FOQDZUICIIIPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)9-13-10-15(19(3)18-13)17-16(20)12-5-7-14(21-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,17,20).
What are the key properties of 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 49176274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).