2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine

C16H22ClN3 — CID 104998324

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(C)cc(C)c2)c1Cl
InChIInChI=1S/C16H22ClN3/c1-5-14-16(17)15(20(4)19-14)9-13(18)12-7-10(2)6-11(3)8-12/h6-8,13H,5,9,18H2,1-4H3
InChIKeyASWRBMUWDCZWCM-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 104998324) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID104998324
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(C)cc(C)c2)c1Cl
InChIInChI=1S/C16H22ClN3/c1-5-14-16(17)15(20(4)19-14)9-13(18)12-7-10(2)6-11(3)8-12/h6-8,13H,5,9,18H2,1-4H3
InChIKeyASWRBMUWDCZWCM-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)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

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950787
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998494
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114894574
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)propanoic acid
CID 79431571
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093475
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104998335
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104998501

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine (CID 104998324) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine is CCc1nn(C)c(CC(N)c2cc(C)cc(C)c2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is ASWRBMUWDCZWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-5-14-16(17)15(20(4)19-14)9-13(18)12-7-10(2)6-11(3)8-12/h6-8,13H,5,9,18H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 104998324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).