2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

C15H20ClN3 — CID 79220516

IUPAC2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C
InChIInChI=1S/C15H20ClN3/c1-10-5-6-13(9-15(10)16)19-12(3)14(7-8-17-4)11(2)18-19/h5-6,9,17H,7-8H2,1-4H3
InChIKeyKZCXZQODMKVDSD-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.21
Rot. Bonds4

About 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 79220516) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID79220516
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C
InChIInChI=1S/C15H20ClN3/c1-10-5-6-13(9-15(10)16)19-12(3)14(7-8-17-4)11(2)18-19/h5-6,9,17H,7-8H2,1-4H3
InChIKeyKZCXZQODMKVDSD-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine 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-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79224846
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine
CID 79225933
5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
CID 43156598
N-[2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79224678
2-[1-(3-chloro-4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82092416
2-[1-(3-chloro-4-methylphenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818139
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225621
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 55823265
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 94563213
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 55760915
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 79220516) is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNCCc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is KZCXZQODMKVDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10-5-6-13(9-15(10)16)19-12(3)14(7-8-17-4)11(2)18-19/h5-6,9,17H,7-8H2,1-4H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79220516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).