N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C15H23N3S — CID 103029901

IUPACN-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)c1sccc1CC
InChIInChI=1S/C15H23N3S/c1-4-13-8-9-19-15(13)14(16-5-2)7-6-12-10-17-18(3)11-12/h8-11,14,16H,4-7H2,1-3H3
InChIKeyNJBPBFFYVMJVLA-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.33
Rot. Bonds7

About N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029901) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029901
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cnn(C)c1)c1sccc1CC
InChIInChI=1S/C15H23N3S/c1-4-13-8-9-19-15(13)14(16-5-2)7-6-12-10-17-18(3)11-12/h8-11,14,16H,4-7H2,1-3H3
InChIKeyNJBPBFFYVMJVLA-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1-methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 103030285
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CID 103011526
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030288
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011734
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030235
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011751
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
N-ethyl-1-(3-ethylthiophen-2-yl)-2-propan-2-yloxyethanamine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029901) is N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(CCc1cnn(C)c1)c1sccc1CC.
What is the InChIKey of N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is NJBPBFFYVMJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-13-8-9-19-15(13)14(16-5-2)7-6-12-10-17-18(3)11-12/h8-11,14,16H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).