N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine

C13H19N3S — CID 105113824

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1cnn(C)c1
InChIInChI=1S/C13H19N3S/c1-3-14-13(6-11-4-5-17-10-11)7-12-8-15-16(2)9-12/h4-5,8-10,13-14H,3,6-7H2,1-2H3
InChIKeyBNPSXNRHYYSKII-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.24
Rot. Bonds6

About N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine

N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 105113824) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID105113824
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCCNC(Cc1ccsc1)Cc1cnn(C)c1
InChIInChI=1S/C13H19N3S/c1-3-14-13(6-11-4-5-17-10-11)7-12-8-15-16(2)9-12/h4-5,8-10,13-14H,3,6-7H2,1-2H3
InChIKeyBNPSXNRHYYSKII-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
[4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-yl]hydrazine
CID 103025780
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799171
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
CID 107065100
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027778
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
N-ethyl-1-(4-methylphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 66065206
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine (CID 105113824) is N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine is CCNC(Cc1ccsc1)Cc1cnn(C)c1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is BNPSXNRHYYSKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-14-13(6-11-4-5-17-10-11)7-12-8-15-16(2)9-12/h4-5,8-10,13-14H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105113824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).