2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine

C16H23N3 — CID 61238330

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCCc1c(C)nn(CC(N)c2ccc(C)cc2)c1C
InChIInChI=1S/C16H23N3/c1-5-15-12(3)18-19(13(15)4)10-16(17)14-8-6-11(2)7-9-14/h6-9,16H,5,10,17H2,1-4H3
InChIKeyXLGWINGQNCHRSW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine (PubChem CID 61238330) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine
PubChem CID61238330
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCCc1c(C)nn(CC(N)c2ccc(C)cc2)c1C
InChIInChI=1S/C16H23N3/c1-5-15-12(3)18-19(13(15)4)10-16(17)14-8-6-11(2)7-9-14/h6-9,16H,5,10,17H2,1-4H3
InChIKeyXLGWINGQNCHRSW-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenzoquat
CID 39425
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
E-55888
CID 24825775
MK-1925
CID 44178080
2-Cyclobutyl-3-(4-fluoro-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11312173
2-Isopropyl-3-p-tolyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11323169
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800
2-cyclobutyl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 11288612
4-(2-Isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulen-3-yl)-benzonitrile
CID 11380477

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine (CID 61238330) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine is CCc1c(C)nn(CC(N)c2ccc(C)cc2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine?
The InChIKey is XLGWINGQNCHRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-15-12(3)18-19(13(15)4)10-16(17)14-8-6-11(2)7-9-14/h6-9,16H,5,10,17H2,1-4H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 61238330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).