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

C16H21N3O2 — CID 49176238

IUPAC3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc(CC(C)C)nn2C)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)8-13-10-15(19(3)18-13)17-16(20)12-6-5-7-14(9-12)21-4/h5-7,9-11H,8H2,1-4H3,(H,17,20)
InChIKeyJMHLTLMGZIOINT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.88
Rot. Bonds5

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

3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide (PubChem CID 49176238) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
PubChem CID49176238
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc(CC(C)C)nn2C)c1
InChIInChI=1S/C16H21N3O2/c1-11(2)8-13-10-15(19(3)18-13)17-16(20)12-6-5-7-14(9-12)21-4/h5-7,9-11H,8H2,1-4H3,(H,17,20)
InChIKeyJMHLTLMGZIOINT-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 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide (CID 49176238) is 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide is COc1cccc(C(=O)Nc2cc(CC(C)C)nn2C)c1.
What is the InChIKey of 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
The InChIKey is JMHLTLMGZIOINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)8-13-10-15(19(3)18-13)17-16(20)12-6-5-7-14(9-12)21-4/h5-7,9-11H,8H2,1-4H3,(H,17,20).
What are the key properties of 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide?
3-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 3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 49176238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).