1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine

C17H25N3 — CID 75423044

IUPAC1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1cccc(C(C)NCCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H25N3/c1-12-7-6-8-16(11-12)13(2)18-10-9-17-14(3)19-20(5)15(17)4/h6-8,11,13,18H,9-10H2,1-5H3
InChIKeySRZBKDSJHLCOTP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.24
Rot. Bonds5

About 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine

1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 75423044) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
PubChem CID75423044
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1cccc(C(C)NCCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H25N3/c1-12-7-6-8-16(11-12)13(2)18-10-9-17-14(3)19-20(5)15(17)4/h6-8,11,13,18H,9-10H2,1-5H3
InChIKeySRZBKDSJHLCOTP-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 97318747
(1R)-1-(3-fluoro-4-methylsulfanylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 97321723
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
1-[1-(3-bromophenyl)ethyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 86931519
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine (CID 75423044) is 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine is Cc1cccc(C(C)NCCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is SRZBKDSJHLCOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-7-6-8-16(11-12)13(2)18-10-9-17-14(3)19-20(5)15(17)4/h6-8,11,13,18H,9-10H2,1-5H3.
What are the key properties of 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine?
1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 75423044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).