2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide

C11H15N3O2 — CID 62920465

IUPAC2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-14-10(6-7-12-14)11(16)13-8-2-4-9(15)5-3-8/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyXUMCEUWJYCUGIR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.66
Rot. Bonds2

About 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide

2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide (PubChem CID 62920465) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
PubChem CID62920465
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H15N3O2/c1-14-10(6-7-12-14)11(16)13-8-2-4-9(15)5-3-8/h6-8H,2-5H2,1H3,(H,13,16)
InChIKeyXUMCEUWJYCUGIR-UHFFFAOYSA-N
XLogP0.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide (CID 62920465) is 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide?
The InChIKey is XUMCEUWJYCUGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-10(6-7-12-14)11(16)13-8-2-4-9(15)5-3-8/h6-8H,2-5H2,1H3,(H,13,16).
What are the key properties of 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide?
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide is sourced from PubChem (CID 62920465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).