[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine

C13H16ClN3 — CID 82297300

IUPAC[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1cccc(Cl)c1C
InChIInChI=1S/C13H16ClN3/c1-3-12-10(7-15)8-16-17(12)13-6-4-5-11(14)9(13)2/h4-6,8H,3,7,15H2,1-2H3
InChIKeyOLXOCYZVGGIUNT-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.86
Rot. Bonds3

About [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine

[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine (PubChem CID 82297300) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine
PubChem CID82297300
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1cccc(Cl)c1C
InChIInChI=1S/C13H16ClN3/c1-3-12-10(7-15)8-16-17(12)13-6-4-5-11(14)9(13)2/h4-6,8H,3,7,15H2,1-2H3
InChIKeyOLXOCYZVGGIUNT-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
[1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 95473478
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol
CID 82528154
2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 95481921
1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride
CID 86775399
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82083524
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
(5-ethyl-1-pyridazin-3-ylpyrazol-4-yl)methanamine
CID 103294537
4-(chloromethyl)-5-ethyl-1-(2-fluorophenyl)pyrazole
CID 66438366
[1-(3-chloro-2-methylphenyl)-5-(methoxymethyl)triazol-4-yl]methanamine
CID 82196436
N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine (CID 82297300) is [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine is CCc1c(CN)cnn1-c1cccc(Cl)c1C.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine?
The InChIKey is OLXOCYZVGGIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-12-10(7-15)8-16-17(12)13-6-4-5-11(14)9(13)2/h4-6,8H,3,7,15H2,1-2H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine?
[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine has a molecular weight of 249.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 82297300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).