1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C13H16ClN3 — CID 55040623

IUPAC1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-15-13(7-10-8-16-17(2)9-10)11-5-3-4-6-12(11)14/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyGKSIBVRPAJVVLY-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 55040623) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID55040623
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-15-13(7-10-8-16-17(2)9-10)11-5-3-4-6-12(11)14/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyGKSIBVRPAJVVLY-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011
1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821686
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 63895824
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 103444657
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821272

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 55040623) is 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CNC(Cc1cnn(C)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is GKSIBVRPAJVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-15-13(7-10-8-16-17(2)9-10)11-5-3-4-6-12(11)14/h3-6,8-9,13,15H,7H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 55040623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).