2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline

C12H15N3 — CID 82469557

IUPAC2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline
SMILESCc1cc(CCc2ccccc2N)n[nH]1
InChIInChI=1S/C12H15N3/c1-9-8-11(15-14-9)7-6-10-4-2-3-5-12(10)13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyYQMAGHXTOSMHBU-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline

2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline (PubChem CID 82469557) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline
PubChem CID82469557
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline
SMILESCc1cc(CCc2ccccc2N)n[nH]1
InChIInChI=1S/C12H15N3/c1-9-8-11(15-14-9)7-6-10-4-2-3-5-12(10)13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyYQMAGHXTOSMHBU-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
3-methyl-1H-indazole
CID 820804
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline (CID 82469557) is 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline is Cc1cc(CCc2ccccc2N)n[nH]1.
What is the InChIKey of 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline?
The InChIKey is YQMAGHXTOSMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-8-11(15-14-9)7-6-10-4-2-3-5-12(10)13/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline?
2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline has a molecular weight of 201.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 82469557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).