N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine

C16H23N3 — CID 62330272

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cnn(CC)c1
InChIInChI=1S/C16H23N3/c1-4-17-16(15-11-18-19(5-2)12-15)10-14-8-6-13(3)7-9-14/h6-9,11-12,16-17H,4-5,10H2,1-3H3
InChIKeyMKDTUVKVWXRGBY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds6

About N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine

N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 62330272) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
PubChem CID62330272
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cnn(CC)c1
InChIInChI=1S/C16H23N3/c1-4-17-16(15-11-18-19(5-2)12-15)10-14-8-6-13(3)7-9-14/h6-9,11-12,16-17H,4-5,10H2,1-3H3
InChIKeyMKDTUVKVWXRGBY-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
CID 62502018
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 116661724
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyridin-4-ylpropan-1-amine
CID 105109175
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65132015
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
2-(2,5-dimethylphenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine (CID 62330272) is N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is MKDTUVKVWXRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-16(15-11-18-19(5-2)12-15)10-14-8-6-13(3)7-9-14/h6-9,11-12,16-17H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine?
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62330272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).