1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine

C11H19N3O — CID 106872076

IUPAC1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine
SMILESCOC1CCCC(n2ncc(C)c2N)C1
InChIInChI=1S/C11H19N3O/c1-8-7-13-14(11(8)12)9-4-3-5-10(6-9)15-2/h7,9-10H,3-6,12H2,1-2H3
InChIKeyXNFMSBIWRCQWKZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds2

About 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine

1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine (PubChem CID 106872076) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine
PubChem CID106872076
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine
SMILESCOC1CCCC(n2ncc(C)c2N)C1
InChIInChI=1S/C11H19N3O/c1-8-7-13-14(11(8)12)9-4-3-5-10(6-9)15-2/h7,9-10H,3-6,12H2,1-2H3
InChIKeyXNFMSBIWRCQWKZ-UHFFFAOYSA-N
XLogP1.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine 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 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine (CID 106872076) is 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine is COC1CCCC(n2ncc(C)c2N)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine?
The InChIKey is XNFMSBIWRCQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-7-13-14(11(8)12)9-4-3-5-10(6-9)15-2/h7,9-10H,3-6,12H2,1-2H3.
What are the key properties of 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine?
1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine has a molecular weight of 209.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 106872076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).