2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine

C12H15N3 — CID 39222030

IUPAC2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCc1[nH]ncc1-c1cccc(CCN)c1
InChIInChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-3-10(7-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3,(H,14,15)
InChIKeyFZAYUSPZKOIHMV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.89
Rot. Bonds3

About 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine

2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 39222030) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID39222030
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCc1[nH]ncc1-c1cccc(CCN)c1
InChIInChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-3-10(7-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3,(H,14,15)
InChIKeyFZAYUSPZKOIHMV-UHFFFAOYSA-N
XLogP1.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine
CID 143374133
2-[3-(2,4-dimethylphenyl)phenyl]ethanamine
CID 82115094
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
2-[3-(2-fluoro-4-methylphenyl)phenyl]ethanamine
CID 110282368
2-[3-(1-methylindol-3-yl)phenyl]ethanamine
CID 82039841
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 63794610
4-[3-(2-aminoethyl)phenyl]-5-methyl-2-propan-2-ylphenol
CID 82039594
4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
CID 117346326
2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 173044703
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
CID 105473201
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine (CID 39222030) is 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine is Cc1[nH]ncc1-c1cccc(CCN)c1.
What is the InChIKey of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is FZAYUSPZKOIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-3-10(7-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine?
2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 39222030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).