3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine

C12H21N3O — CID 103079230

IUPAC3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H21N3O/c1-12(2)6-4-9(5-7-12)16-11-10(13)8-15(3)14-11/h8-9H,4-7,13H2,1-3H3
InChIKeyFODZIPUOTMXGIF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds2

About 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine

3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine (PubChem CID 103079230) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine
PubChem CID103079230
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H21N3O/c1-12(2)6-4-9(5-7-12)16-11-10(13)8-15(3)14-11/h8-9H,4-7,13H2,1-3H3
InChIKeyFODZIPUOTMXGIF-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine (CID 103079230) is 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine is Cn1cc(N)c(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine?
The InChIKey is FODZIPUOTMXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2)6-4-9(5-7-12)16-11-10(13)8-15(3)14-11/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine?
3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).