5-(3-chlorophenyl)-1-ethylpyrazol-3-amine

C11H12ClN3 — CID 105478672

IUPAC5-(3-chlorophenyl)-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-2-15-10(7-11(13)14-15)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyKGSWXVWASARMRA-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.81
Rot. Bonds2

About 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine

5-(3-chlorophenyl)-1-ethylpyrazol-3-amine (PubChem CID 105478672) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-ethylpyrazol-3-amine
PubChem CID105478672
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-(3-chlorophenyl)-1-ethylpyrazol-3-amine
SMILESCCn1nc(N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-2-15-10(7-11(13)14-15)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyKGSWXVWASARMRA-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-amine
CID 118466453
5-(3-chlorophenyl)-1-ethyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46104817
1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine
CID 84797894
1-ethyl-3,5-diphenylpyrazole
CID 12665793
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
5-(4-methylphenyl)-1-propylpyrazol-3-amine
CID 67610637
5-(3-chlorophenyl)-3-ethyl-2-phenylimidazol-4-amine
CID 63468761
ethyl 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)pyrazol-1-yl]acetate
CID 90451225
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 116788203
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine (CID 105478672) is 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine is CCn1nc(N)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine?
The InChIKey is KGSWXVWASARMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-2-15-10(7-11(13)14-15)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine?
5-(3-chlorophenyl)-1-ethylpyrazol-3-amine has a molecular weight of 221.69 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-ethylpyrazol-3-amine is sourced from PubChem (CID 105478672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).