1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C18H27N3 — CID 104991711

IUPAC1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C18H27N3/c1-5-17(6-2)21-10-9-16(20-21)12-18(19)15-8-7-13(3)14(4)11-15/h7-11,17-18H,5-6,12,19H2,1-4H3
InChIKeyYMRVFSNDKUUEFU-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.10
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 104991711) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID104991711
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C18H27N3/c1-5-17(6-2)21-10-9-16(20-21)12-18(19)15-8-7-13(3)14(4)11-15/h7-11,17-18H,5-6,12,19H2,1-4H3
InChIKeyYMRVFSNDKUUEFU-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64786047
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991712
1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115808069
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 103406335
2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 79430125
1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 79783320
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
CID 64785495
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 104991711) is 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(N)c2ccc(C)c(C)c2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is YMRVFSNDKUUEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-17(6-2)21-10-9-16(20-21)12-18(19)15-8-7-13(3)14(4)11-15/h7-11,17-18H,5-6,12,19H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104991711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).