2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine

C15H21N3 — CID 82085259

IUPAC2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCc1cccc(-n2nc(C)c(CCN)c2C)c1C
InChIInChI=1S/C15H21N3/c1-10-6-5-7-15(11(10)2)18-13(4)14(8-9-16)12(3)17-18/h5-7H,8-9,16H2,1-4H3
InChIKeyDEPAHKFYYCYBMI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.61
Rot. Bonds3

About 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine

2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 82085259) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID82085259
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCc1cccc(-n2nc(C)c(CCN)c2C)c1C
InChIInChI=1S/C15H21N3/c1-10-6-5-7-15(11(10)2)18-13(4)14(8-9-16)12(3)17-18/h5-7H,8-9,16H2,1-4H3
InChIKeyDEPAHKFYYCYBMI-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82091408
3-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093389
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
2-[5-cyclopropyl-1-(2,3-dimethylphenyl)pyrazol-3-yl]ethanamine
CID 82088797
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79218619
4-ethyl-1-(2-methoxy-3-methylphenyl)-3,5-dimethylpyrazole
CID 154383743
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
[1-(2,3-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478674
4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056349
2-[1-(3-chloro-4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82092416

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine (CID 82085259) is 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine is Cc1cccc(-n2nc(C)c(CCN)c2C)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is DEPAHKFYYCYBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-5-7-15(11(10)2)18-13(4)14(8-9-16)12(3)17-18/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 82085259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).