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

C16H23N3 — CID 79224846

IUPAC2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2cc(C)cc(C)c2)c1C
InChIInChI=1S/C16H23N3/c1-11-8-12(2)10-15(9-11)19-14(4)16(6-7-17-5)13(3)18-19/h8-10,17H,6-7H2,1-5H3
InChIKeyBKSZTXWNQCPHNL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.87
Rot. Bonds4

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

2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 79224846) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID79224846
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2cc(C)cc(C)c2)c1C
InChIInChI=1S/C16H23N3/c1-11-8-12(2)10-15(9-11)19-14(4)16(6-7-17-5)13(3)18-19/h8-10,17H,6-7H2,1-5H3
InChIKeyBKSZTXWNQCPHNL-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine
CID 79225933
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79220516
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
3-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43542554
2-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225696
3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79219367
2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
CID 107887997
2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanethiol
CID 143475775
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225621
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
N-[2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79224678
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 61394885

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 79224846) is 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNCCc1c(C)nn(-c2cc(C)cc(C)c2)c1C.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is BKSZTXWNQCPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-8-12(2)10-15(9-11)19-14(4)16(6-7-17-5)13(3)18-19/h8-10,17H,6-7H2,1-5H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79224846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).