(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate

C13H21N3O2 — CID 65355995

IUPAC(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate
SMILESCC1CCC(OC(=O)c2nn(C)cc2N)CC1C
InChIInChI=1S/C13H21N3O2/c1-8-4-5-10(6-9(8)2)18-13(17)12-11(14)7-16(3)15-12/h7-10H,4-6,14H2,1-3H3
InChIKeyHRYLHFFILYJBOG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds2

About (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate

(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate (PubChem CID 65355995) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate
PubChem CID65355995
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate
SMILESCC1CCC(OC(=O)c2nn(C)cc2N)CC1C
InChIInChI=1S/C13H21N3O2/c1-8-4-5-10(6-9(8)2)18-13(17)12-11(14)7-16(3)15-12/h7-10H,4-6,14H2,1-3H3
InChIKeyHRYLHFFILYJBOG-UHFFFAOYSA-N
XLogP1.98
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-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 (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate?
The IUPAC name of (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate (CID 65355995) is (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate is CC1CCC(OC(=O)c2nn(C)cc2N)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate?
The InChIKey is HRYLHFFILYJBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-4-5-10(6-9(8)2)18-13(17)12-11(14)7-16(3)15-12/h7-10H,4-6,14H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate?
(3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 4-amino-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 65355995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).