[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate

C15H23N3O3 — CID 55425836

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
SMILESCC1CCC(N(C)C(=O)COC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H23N3O3/c1-11-4-6-13(7-5-11)18(3)14(19)10-21-15(20)12-8-16-17(2)9-12/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyKSPXOJXPJGQPRT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.61
Rot. Bonds4

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate (PubChem CID 55425836) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
PubChem CID55425836
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
SMILESCC1CCC(N(C)C(=O)COC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H23N3O3/c1-11-4-6-13(7-5-11)18(3)14(19)10-21-15(20)12-8-16-17(2)9-12/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyKSPXOJXPJGQPRT-UHFFFAOYSA-N
XLogP1.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate (CID 55425836) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate is CC1CCC(N(C)C(=O)COC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
The InChIKey is KSPXOJXPJGQPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-4-6-13(7-5-11)18(3)14(19)10-21-15(20)12-8-16-17(2)9-12/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 55425836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).