5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine

C14H19N3 — CID 82081647

IUPAC5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C14H19N3/c1-5-11-13(14(15)17-16-11)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H3,15,16,17)
InChIKeyIMFLOLOEOPUCIG-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.15
Rot. Bonds2

About 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine

5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 82081647) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
PubChem CID82081647
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1c(C)cc(C)cc1C
InChIInChI=1S/C14H19N3/c1-5-11-13(14(15)17-16-11)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H3,15,16,17)
InChIKeyIMFLOLOEOPUCIG-UHFFFAOYSA-N
XLogP3.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 82089342
4-chloro-5-ethyl-1H-pyrazol-3-amine
CID 83905006
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 82083321
5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
CID 82113707
6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295603
6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202121
6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202644
ethyl 3-amino-5-ethyl-1H-pyrazole-4-carboxylate
CID 15186424
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 63468172
5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830117
7-chloro-3-ethyl-5-methyl-2H-indazole
CID 89021099

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine (CID 82081647) is 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1-c1c(C)cc(C)cc1C.
What is the InChIKey of 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is IMFLOLOEOPUCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-11-13(14(15)17-16-11)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H3,15,16,17).
What are the key properties of 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 229.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82081647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).