2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine

C12H15N3 — CID 82282392

IUPAC2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1ccccc1-n1cc(CCN)cn1
InChIInChI=1S/C12H15N3/c1-10-4-2-3-5-12(10)15-9-11(6-7-13)8-14-15/h2-5,8-9H,6-7,13H2,1H3
InChIKeyDEKWYUBJWYCIPJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.68
Rot. Bonds3

About 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine

2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine (PubChem CID 82282392) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
PubChem CID82282392
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1ccccc1-n1cc(CCN)cn1
InChIInChI=1S/C12H15N3/c1-10-4-2-3-5-12(10)15-9-11(6-7-13)8-14-15/h2-5,8-9H,6-7,13H2,1H3
InChIKeyDEKWYUBJWYCIPJ-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 61271515
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine
CID 62718594
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 131920376
2-[4-(4-chloropyrazol-1-yl)-3-methylphenyl]ethanamine
CID 63815374
2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
CID 82307239
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-dithiepan-6-amine
CID 131951782
2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
CID 105410763
4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83881516
2-(4-ethylpyrazol-1-yl)aniline
CID 84770437
2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171
5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine
CID 135103174

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine (CID 82282392) is 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine is Cc1ccccc1-n1cc(CCN)cn1.
What is the InChIKey of 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine?
The InChIKey is DEKWYUBJWYCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-4-2-3-5-12(10)15-9-11(6-7-13)8-14-15/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine?
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82282392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).