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

C16H21N3O2 — CID 49176300

IUPAC2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(CC(C)C)nn1C
InChIInChI=1S/C16H21N3O2/c1-11(2)9-12-10-15(19(3)18-12)17-16(20)13-7-5-6-8-14(13)21-4/h5-8,10-11H,9H2,1-4H3,(H,17,20)
InChIKeyGXIHISPRBSMGEL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.88
Rot. Bonds5

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

2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide (PubChem CID 49176300) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
PubChem CID49176300
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(CC(C)C)nn1C
InChIInChI=1S/C16H21N3O2/c1-11(2)9-12-10-15(19(3)18-12)17-16(20)13-7-5-6-8-14(13)21-4/h5-8,10-11H,9H2,1-4H3,(H,17,20)
InChIKeyGXIHISPRBSMGEL-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 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide (CID 49176300) is 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide is COc1ccccc1C(=O)Nc1cc(CC(C)C)nn1C.
What is the InChIKey of 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The InChIKey is GXIHISPRBSMGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)9-12-10-15(19(3)18-12)17-16(20)13-7-5-6-8-14(13)21-4/h5-8,10-11H,9H2,1-4H3,(H,17,20).
What are the key properties of 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
2-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 2-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 49176300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).