1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C17H25N3 — CID 105187974

IUPAC1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCc1cccc(C(N)Cc2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H25N3/c1-5-7-14-8-6-9-15(10-14)17(18)11-16-12(2)19-20(4)13(16)3/h6,8-10,17H,5,7,11,18H2,1-4H3
InChIKeyUBNNWBLLLWCGCR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.23
Rot. Bonds5

About 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105187974) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105187974
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCc1cccc(C(N)Cc2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H25N3/c1-5-7-14-8-6-9-15(10-14)17(18)11-16-12(2)19-20(4)13(16)3/h6,8-10,17H,5,7,11,18H2,1-4H3
InChIKeyUBNNWBLLLWCGCR-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
CID 116544264
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
1-(3-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105170047
(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
CID 105187884
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105187974) is 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCCc1cccc(C(N)Cc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is UBNNWBLLLWCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-7-14-8-6-9-15(10-14)17(18)11-16-12(2)19-20(4)13(16)3/h6,8-10,17H,5,7,11,18H2,1-4H3.
What are the key properties of 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105187974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).