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

C12H13Cl2N3 — CID 95473478

IUPAC[1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-2-11-8(6-15)7-16-17(11)12-5-9(13)3-4-10(12)14/h3-5,7H,2,6,15H2,1H3
InChIKeyQVIMRIXDRGLYCC-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.20
Rot. Bonds3

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

[1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine (PubChem CID 95473478) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine
PubChem CID95473478
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name[1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine
SMILESCCc1c(CN)cnn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-2-11-8(6-15)7-16-17(11)12-5-9(13)3-4-10(12)14/h3-5,7H,2,6,15H2,1H3
InChIKeyQVIMRIXDRGLYCC-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine (CID 95473478) is [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine is CCc1c(CN)cnn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine?
The InChIKey is QVIMRIXDRGLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-11-8(6-15)7-16-17(11)12-5-9(13)3-4-10(12)14/h3-5,7H,2,6,15H2,1H3.
What are the key properties of [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine?
[1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine has a molecular weight of 270.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 95473478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).