1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C16H23N3 — CID 105090783

IUPAC1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3/c1-11-6-5-7-14(10-11)16(17)9-8-15-12(2)18-19(4)13(15)3/h5-7,10,16H,8-9,17H2,1-4H3
InChIKeyXSNHKCDZKSJXFG-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105090783) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105090783
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3/c1-11-6-5-7-14(10-11)16(17)9-8-15-12(2)18-19(4)13(15)3/h5-7,10,16H,8-9,17H2,1-4H3
InChIKeyXSNHKCDZKSJXFG-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105098522
1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 75423044
(1R)-1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 97318747
1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105154076
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
1-(1-ethylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109199
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
[1-(3-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105283653
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105088724
1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105146531
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105090783) is 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1cccc(C(N)CCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is XSNHKCDZKSJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-6-5-7-14(10-11)16(17)9-8-15-12(2)18-19(4)13(15)3/h5-7,10,16H,8-9,17H2,1-4H3.
What are the key properties of 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105090783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).