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

C15H21N3 — CID 103030528

IUPAC1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCc1cc(C)cc(C(N)CCc2ccnn2C)c1
InChIInChI=1S/C15H21N3/c1-11-8-12(2)10-13(9-11)15(16)5-4-14-6-7-17-18(14)3/h6-10,15H,4-5,16H2,1-3H3
InChIKeyZATQUDTZENRFLO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030528) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030528
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCc1cc(C)cc(C(N)CCc2ccnn2C)c1
InChIInChI=1S/C15H21N3/c1-11-8-12(2)10-13(9-11)15(16)5-4-14-6-7-17-18(14)3/h6-10,15H,4-5,16H2,1-3H3
InChIKeyZATQUDTZENRFLO-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

3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010531
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030513
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103031051
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030528) is 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cc1cc(C)cc(C(N)CCc2ccnn2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is ZATQUDTZENRFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-8-12(2)10-13(9-11)15(16)5-4-14-6-7-17-18(14)3/h6-10,15H,4-5,16H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-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-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).