3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine

C15H21N3 — CID 62830810

IUPAC3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
SMILESCCC(C)c1nn(C)c(N)c1-c1cccc(C)c1
InChIInChI=1S/C15H21N3/c1-5-11(3)14-13(15(16)18(4)17-14)12-8-6-7-10(2)9-12/h6-9,11H,5,16H2,1-4H3
InChIKeyQEKRHHRCCYXLHS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.49
Rot. Bonds3

About 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine

3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine (PubChem CID 62830810) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
PubChem CID62830810
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
SMILESCCC(C)c1nn(C)c(N)c1-c1cccc(C)c1
InChIInChI=1S/C15H21N3/c1-5-11(3)14-13(15(16)18(4)17-14)12-8-6-7-10(2)9-12/h6-9,11H,5,16H2,1-4H3
InChIKeyQEKRHHRCCYXLHS-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 62829768
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306
3-[2-(furan-2-yl)ethyl]-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
CID 62829943
4-(3-chlorophenyl)-3-(1-cyclopropylethyl)-1-methylpyrazol-5-amine
CID 83154614
4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 61496782
3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327
3-(1-cyclopropylethyl)-1-methyl-4-phenylpyrazol-5-amine
CID 83154819
4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336687
1-methyl-3-propan-2-yl-4-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 43336712
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83216683
4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158669
4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
CID 83910681

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine (CID 62830810) is 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine is CCC(C)c1nn(C)c(N)c1-c1cccc(C)c1.
What is the InChIKey of 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
The InChIKey is QEKRHHRCCYXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-11(3)14-13(15(16)18(4)17-14)12-8-6-7-10(2)9-12/h6-9,11H,5,16H2,1-4H3.
What are the key properties of 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine?
3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 62830810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).