5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine

C9H15N3O — CID 62116290

IUPAC5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(OC2CCC2)c1N
InChIInChI=1S/C9H15N3O/c1-6-8(10)9(12(2)11-6)13-7-4-3-5-7/h7H,3-5,10H2,1-2H3
InChIKeyVCHAFFFKPCSBII-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.24
Rot. Bonds2

About 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine

5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine (PubChem CID 62116290) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine
PubChem CID62116290
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(OC2CCC2)c1N
InChIInChI=1S/C9H15N3O/c1-6-8(10)9(12(2)11-6)13-7-4-3-5-7/h7H,3-5,10H2,1-2H3
InChIKeyVCHAFFFKPCSBII-UHFFFAOYSA-N
XLogP1.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine (CID 62116290) is 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(OC2CCC2)c1N.
What is the InChIKey of 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine?
The InChIKey is VCHAFFFKPCSBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-8(10)9(12(2)11-6)13-7-4-3-5-7/h7H,3-5,10H2,1-2H3.
What are the key properties of 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine?
5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine has a molecular weight of 181.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 62116290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).