1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C16H23N3 — CID 104990024

IUPAC1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C16H23N3/c1-11(2)19-8-7-14(18-19)10-16(17)15-9-12(3)5-6-13(15)4/h5-9,11,16H,10,17H2,1-4H3
InChIKeyFMORNPIGSKWCCR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 104990024) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID104990024
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1ccc(C)c(C(N)Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C16H23N3/c1-11(2)19-8-7-14(18-19)10-16(17)15-9-12(3)5-6-13(15)4/h5-9,11,16H,10,17H2,1-4H3
InChIKeyFMORNPIGSKWCCR-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107985060
1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991712
1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114906238
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154948
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104989989
1-(2-bromo-4-methylphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990061
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154827

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 104990024) is 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is Cc1ccc(C)c(C(N)Cc2ccn(C(C)C)n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is FMORNPIGSKWCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)19-8-7-14(18-19)10-16(17)15-9-12(3)5-6-13(15)4/h5-9,11,16H,10,17H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104990024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).