(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine

C16H23N3 — CID 81360333

IUPAC(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
SMILESCCn1cc(C(C)N[C@@H](C)c2cccc(C)c2)cn1
InChIInChI=1S/C16H23N3/c1-5-19-11-16(10-17-19)14(4)18-13(3)15-8-6-7-12(2)9-15/h6-11,13-14,18H,5H2,1-4H3/t13-,14?/m0/s1
InChIKeyKKIVZJKNZSLLOA-LSLKUGRBSA-N
MW257.38 g/mol
LogP3.62
Rot. Bonds5

About (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81360333) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
PubChem CID81360333
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
SMILESCCn1cc(C(C)N[C@@H](C)c2cccc(C)c2)cn1
InChIInChI=1S/C16H23N3/c1-5-19-11-16(10-17-19)14(4)18-13(3)15-8-6-7-12(2)9-15/h6-11,13-14,18H,5H2,1-4H3/t13-,14?/m0/s1
InChIKeyKKIVZJKNZSLLOA-LSLKUGRBSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404494
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
CID 63012963
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417186
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 81338161
3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
CID 79436089
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine (CID 81360333) is (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine is CCn1cc(C(C)N[C@@H](C)c2cccc(C)c2)cn1.
What is the InChIKey of (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is KKIVZJKNZSLLOA-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-19-11-16(10-17-19)14(4)18-13(3)15-8-6-7-12(2)9-15/h6-11,13-14,18H,5H2,1-4H3/t13-,14?/m0/s1.
What are the key properties of (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81360333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).