2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide

C15H17N3O2 — CID 167925151

IUPAC2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2n[nH]c3c2COCC3)c1
InChIInChI=1S/C15H17N3O2/c1-10-3-2-4-11(7-10)8-14(19)16-15-12-9-20-6-5-13(12)17-18-15/h2-4,7H,5-6,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyJXQNKFYSVYFOGW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.97
Rot. Bonds3

About 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide

2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide (PubChem CID 167925151) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
PubChem CID167925151
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2n[nH]c3c2COCC3)c1
InChIInChI=1S/C15H17N3O2/c1-10-3-2-4-11(7-10)8-14(19)16-15-12-9-20-6-5-13(12)17-18-15/h2-4,7H,5-6,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyJXQNKFYSVYFOGW-UHFFFAOYSA-N
XLogP1.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide (CID 167925151) is 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide is Cc1cccc(CC(=O)Nc2n[nH]c3c2COCC3)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The InChIKey is JXQNKFYSVYFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-3-2-4-11(7-10)8-14(19)16-15-12-9-20-6-5-13(12)17-18-15/h2-4,7H,5-6,8-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 167925151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).