methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate

C11H17N3O2 — CID 58531022

IUPACmethyl 5-amino-3-cyclohexylpyrazole-1-carboxylate
SMILESCOC(=O)n1nc(C2CCCCC2)cc1N
InChIInChI=1S/C11H17N3O2/c1-16-11(15)14-10(12)7-9(13-14)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3
InChIKeyBLGXRENJVSUEKR-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.13
Rot. Bonds1

About methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate

methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate (PubChem CID 58531022) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-cyclohexylpyrazole-1-carboxylate
PubChem CID58531022
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 5-amino-3-cyclohexylpyrazole-1-carboxylate
SMILESCOC(=O)n1nc(C2CCCCC2)cc1N
InChIInChI=1S/C11H17N3O2/c1-16-11(15)14-10(12)7-9(13-14)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3
InChIKeyBLGXRENJVSUEKR-UHFFFAOYSA-N
XLogP2.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-3-cyclohexylpyrazole-1-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 methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate?
The IUPAC name of methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate (CID 58531022) is methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate.
What is the SMILES notation for methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate?
The canonical SMILES for methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate is COC(=O)n1nc(C2CCCCC2)cc1N.
What is the InChIKey of methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate?
The InChIKey is BLGXRENJVSUEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11(15)14-10(12)7-9(13-14)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3.
What are the key properties of methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate?
methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate is sourced from PubChem (CID 58531022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).