2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine

C15H21N3 — CID 82870218

IUPAC2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCCc1ccc(C(C)(N)Cc2ccn(C)n2)cc1
InChIInChI=1S/C15H21N3/c1-4-12-5-7-13(8-6-12)15(2,16)11-14-9-10-18(3)17-14/h5-10H,4,11,16H2,1-3H3
InChIKeyXLHLKPWRJIDVON-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine

2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 82870218) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID82870218
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCCc1ccc(C(C)(N)Cc2ccn(C)n2)cc1
InChIInChI=1S/C15H21N3/c1-4-12-5-7-13(8-6-12)15(2,16)11-14-9-10-18(3)17-14/h5-10H,4,11,16H2,1-3H3
InChIKeyXLHLKPWRJIDVON-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82869106
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328
2-(4-ethylphenyl)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333010
2-(2,5-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82868491
1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine
CID 82869830
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64786032
3-ethyl-1-methylpyrazole;propane
CID 170573719
1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 114834047
2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 114083203
1-(5-bromothiophen-2-yl)-2-(4-ethylphenyl)propan-2-amine
CID 62622583
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine (CID 82870218) is 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine is CCc1ccc(C(C)(N)Cc2ccn(C)n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is XLHLKPWRJIDVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-12-5-7-13(8-6-12)15(2,16)11-14-9-10-18(3)17-14/h5-10H,4,11,16H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82870218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).