N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine

C13H15Cl2N3 — CID 84615216

IUPACN-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cc(Cl)cc(Cl)c2)nc1C
InChIInChI=1S/C13H15Cl2N3/c1-3-16-7-10-8-18(17-9(10)2)13-5-11(14)4-12(15)6-13/h4-6,8,16H,3,7H2,1-2H3
InChIKeyDGNFKDPWDOAADB-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.60
Rot. Bonds4

About N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine

N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine (PubChem CID 84615216) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
PubChem CID84615216
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cc(Cl)cc(Cl)c2)nc1C
InChIInChI=1S/C13H15Cl2N3/c1-3-16-7-10-8-18(17-9(10)2)13-5-11(14)4-12(15)6-13/h4-6,8,16H,3,7H2,1-2H3
InChIKeyDGNFKDPWDOAADB-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine (CID 84615216) is N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2cc(Cl)cc(Cl)c2)nc1C.
What is the InChIKey of N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is DGNFKDPWDOAADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-16-7-10-8-18(17-9(10)2)13-5-11(14)4-12(15)6-13/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 84615216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).