3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine

C15H19N3O — CID 43158655

IUPAC3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C3CCC3)nn(C)c2N)cc1
InChIInChI=1S/C15H19N3O/c1-18-15(16)13(14(17-18)11-4-3-5-11)10-6-8-12(19-2)9-7-10/h6-9,11H,3-5,16H2,1-2H3
InChIKeyLHNXSOMXXFEXIY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.95
Rot. Bonds3

About 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine

3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 43158655) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID43158655
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C3CCC3)nn(C)c2N)cc1
InChIInChI=1S/C15H19N3O/c1-18-15(16)13(14(17-18)11-4-3-5-11)10-6-8-12(19-2)9-7-10/h6-9,11H,3-5,16H2,1-2H3
InChIKeyLHNXSOMXXFEXIY-UHFFFAOYSA-N
XLogP2.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-methoxyphenyl)-1-methyl-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine (CID 43158655) is 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine is COc1ccc(-c2c(C3CCC3)nn(C)c2N)cc1.
What is the InChIKey of 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is LHNXSOMXXFEXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-15(16)13(14(17-18)11-4-3-5-11)10-6-8-12(19-2)9-7-10/h6-9,11H,3-5,16H2,1-2H3.
What are the key properties of 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine?
3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(4-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43158655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).