1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

C13H17ClN4 — CID 103444657

IUPAC1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ncccc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-15-12(7-10-8-17-18(2)9-10)13-11(14)5-4-6-16-13/h4-6,8-9,12,15H,3,7H2,1-2H3
InChIKeyPHJUJZWBULREAI-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.36
Rot. Bonds5

About 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 103444657) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID103444657
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ncccc1Cl
InChIInChI=1S/C13H17ClN4/c1-3-15-12(7-10-8-17-18(2)9-10)13-11(14)5-4-6-16-13/h4-6,8-9,12,15H,3,7H2,1-2H3
InChIKeyPHJUJZWBULREAI-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)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-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821272
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989998
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444619
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 112749578
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 63556140
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 103444657) is 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(C)c1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is PHJUJZWBULREAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-3-15-12(7-10-8-17-18(2)9-10)13-11(14)5-4-6-16-13/h4-6,8-9,12,15H,3,7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103444657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).