1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

C13H15Cl2N3 — CID 103905228

IUPAC1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C13H15Cl2N3/c1-8(10-3-4-12(14)13(15)5-10)18-9(2)11-6-16-17-7-11/h3-9,18H,1-2H3,(H,16,17)
InChIKeyFYOLTHUFHSDKKB-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.13
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (PubChem CID 103905228) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
PubChem CID103905228
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C13H15Cl2N3/c1-8(10-3-4-12(14)13(15)5-10)18-9(2)11-6-16-17-7-11/h3-9,18H,1-2H3,(H,16,17)
InChIKeyFYOLTHUFHSDKKB-UHFFFAOYSA-N
XLogP4.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-chlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 114158485
1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905092
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905160
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209490
1-(3,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388533
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 103905105

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (CID 103905228) is 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is CC(NC(C)c1ccc(Cl)c(Cl)c1)c1cn[nH]c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The InChIKey is FYOLTHUFHSDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8(10-3-4-12(14)13(15)5-10)18-9(2)11-6-16-17-7-11/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine has a molecular weight of 284.19 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103905228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).