2-(4-ethylpyrazol-1-yl)aniline

C11H13N3 — CID 84770437

IUPAC2-(4-ethylpyrazol-1-yl)aniline
SMILESCCc1cnn(-c2ccccc2N)c1
InChIInChI=1S/C11H13N3/c1-2-9-7-13-14(8-9)11-6-4-3-5-10(11)12/h3-8H,2,12H2,1H3
InChIKeyJCVFSGCHERHIOB-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.02
Rot. Bonds2

About 2-(4-ethylpyrazol-1-yl)aniline

2-(4-ethylpyrazol-1-yl)aniline (PubChem CID 84770437) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(4-ethylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-(4-ethylpyrazol-1-yl)aniline
PubChem CID84770437
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(4-ethylpyrazol-1-yl)aniline
SMILESCCc1cnn(-c2ccccc2N)c1
InChIInChI=1S/C11H13N3/c1-2-9-7-13-14(8-9)11-6-4-3-5-10(11)12/h3-8H,2,12H2,1H3
InChIKeyJCVFSGCHERHIOB-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylpyrazol-1-yl)pyridin-3-amine
CID 84770779
2-(4-methoxypyrazol-1-yl)aniline
CID 130511077
1-(2-aminophenyl)pyrazole-4-carbonitrile
CID 84769361
2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid
CID 66938119
5-(4-ethylpyrazol-1-yl)pyridin-2-amine
CID 58399291
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
1-(4-bromophenyl)-4-ethylpyrazole
CID 84804013
1-[1-(2-chlorophenyl)pyrazol-4-yl]propan-2-amine
CID 83896850
2-bromo-5-(4-ethylpyrazol-1-yl)-1,3,4-thiadiazole
CID 164655719
1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone
CID 110121762
[2-(4-ethylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 84776884
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 131920376

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyrazol-1-yl)aniline?
The IUPAC name of 2-(4-ethylpyrazol-1-yl)aniline (CID 84770437) is 2-(4-ethylpyrazol-1-yl)aniline.
What is the SMILES notation for 2-(4-ethylpyrazol-1-yl)aniline?
The canonical SMILES for 2-(4-ethylpyrazol-1-yl)aniline is CCc1cnn(-c2ccccc2N)c1.
What is the InChIKey of 2-(4-ethylpyrazol-1-yl)aniline?
The InChIKey is JCVFSGCHERHIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-9-7-13-14(8-9)11-6-4-3-5-10(11)12/h3-8H,2,12H2,1H3.
What are the key properties of 2-(4-ethylpyrazol-1-yl)aniline?
2-(4-ethylpyrazol-1-yl)aniline has a molecular weight of 187.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyrazol-1-yl)aniline is sourced from PubChem (CID 84770437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).