N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine

C18H27N3 — CID 62125739

IUPACN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27N3/c1-5-19-18(11-15-12-20-21(6-2)13-15)17-9-7-16(8-10-17)14(3)4/h7-10,12-14,18-19H,5-6,11H2,1-4H3
InChIKeyHIPHHBNOFVZXLR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.92
Rot. Bonds7

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

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 62125739) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID62125739
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27N3/c1-5-19-18(11-15-12-20-21(6-2)13-15)17-9-7-16(8-10-17)14(3)4/h7-10,12-14,18-19H,5-6,11H2,1-4H3
InChIKeyHIPHHBNOFVZXLR-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822325
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105114758
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822839
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105114831
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115822095
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine (CID 62125739) is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine is CCNC(Cc1cnn(CC)c1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HIPHHBNOFVZXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-19-18(11-15-12-20-21(6-2)13-15)17-9-7-16(8-10-17)14(3)4/h7-10,12-14,18-19H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 62125739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).