N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine

C12H13Cl2N3 — CID 61272499

IUPACN-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-2-15-6-9-7-16-17(8-9)12-4-3-10(13)5-11(12)14/h3-5,7-8,15H,2,6H2,1H3
InChIKeyWCBSEZGGKNXCLK-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.29
Rot. Bonds4

About N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine

N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 61272499) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID61272499
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC NameN-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-2-15-6-9-7-16-17(8-9)12-4-3-10(13)5-11(12)14/h3-5,7-8,15H,2,6H2,1H3
InChIKeyWCBSEZGGKNXCLK-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-N-ethylethanamine
CID 112754935
N-[[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 54909733
2-[1-(2,4-dichlorophenyl)pyrazol-4-yl]acetonitrile
CID 118153261
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
4-(3-bromopropyl)-1-(2,4-dichlorophenyl)pyrazole
CID 62718915
2-(4-chloropyrazol-1-yl)-5-(ethylaminomethyl)benzonitrile
CID 114063830
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
CID 60958392
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
CID 122145027
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61271907
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 61270360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine (CID 61272499) is N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is WCBSEZGGKNXCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-15-6-9-7-16-17(8-9)12-4-3-10(13)5-11(12)14/h3-5,7-8,15H,2,6H2,1H3.
What are the key properties of N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 270.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 61272499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).