1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C15H21N3 — CID 103030043

IUPAC1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCc1ccc(C)c(C(N)CCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3/c1-11-4-5-12(2)14(8-11)15(16)7-6-13-9-17-18(3)10-13/h4-5,8-10,15H,6-7,16H2,1-3H3
InChIKeyQUSUKPFYUMMCEN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103030043) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103030043
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCc1ccc(C)c(C(N)CCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3/c1-11-4-5-12(2)14(8-11)15(16)7-6-13-9-17-18(3)10-13/h4-5,8-10,15H,6-7,16H2,1-3H3
InChIKeyQUSUKPFYUMMCEN-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027828
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011839
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571
1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030121
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103030043) is 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cc1ccc(C)c(C(N)CCc2cnn(C)c2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is QUSUKPFYUMMCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-4-5-12(2)14(8-11)15(16)7-6-13-9-17-18(3)10-13/h4-5,8-10,15H,6-7,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.67, 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)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103030043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).