3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine

C12H21N3O — CID 115921773

IUPAC3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine
SMILESCOCC(C)Nc1cc(C2CCC2)nn1C
InChIInChI=1S/C12H21N3O/c1-9(8-16-3)13-12-7-11(14-15(12)2)10-5-4-6-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyUJDVMGQYFHWLNZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds5

About 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine

3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine (PubChem CID 115921773) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine
PubChem CID115921773
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine
SMILESCOCC(C)Nc1cc(C2CCC2)nn1C
InChIInChI=1S/C12H21N3O/c1-9(8-16-3)13-12-7-11(14-15(12)2)10-5-4-6-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyUJDVMGQYFHWLNZ-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine (CID 115921773) is 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine is COCC(C)Nc1cc(C2CCC2)nn1C.
What is the InChIKey of 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is UJDVMGQYFHWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(8-16-3)13-12-7-11(14-15(12)2)10-5-4-6-10/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine?
3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(1-methoxypropan-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 115921773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).