[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine

C12H13Cl2N3 — CID 84761580

IUPAC[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(Cl)cc2Cl)cc1CN
InChIInChI=1S/C12H13Cl2N3/c1-2-17-9(7-15)6-12(16-17)10-4-3-8(13)5-11(10)14/h3-6H,2,7,15H2,1H3
InChIKeyUNAIZFNQLXLIEQ-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.34
Rot. Bonds3

About [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine

[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine (PubChem CID 84761580) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
PubChem CID84761580
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(Cl)cc2Cl)cc1CN
InChIInChI=1S/C12H13Cl2N3/c1-2-17-9(7-15)6-12(16-17)10-4-3-8(13)5-11(10)14/h3-6H,2,7,15H2,1H3
InChIKeyUNAIZFNQLXLIEQ-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746375
[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761577
[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746367
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
CID 84610147
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)methanamine
CID 121211007
1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
CID 43381349
(1-ethyl-3-iodopyrazol-5-yl)methanamine
CID 154881848
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine?
The IUPAC name of [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine (CID 84761580) is [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine?
The canonical SMILES for [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine is CCn1nc(-c2ccc(Cl)cc2Cl)cc1CN.
What is the InChIKey of [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine?
The InChIKey is UNAIZFNQLXLIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-17-9(7-15)6-12(16-17)10-4-3-8(13)5-11(10)14/h3-6H,2,7,15H2,1H3.
What are the key properties of [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine?
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine has a molecular weight of 270.16 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine is sourced from PubChem (CID 84761580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).