N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C13H17N3S — CID 106936694

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESC=Cn1cc(CNC(CC)c2cccs2)cn1
InChIInChI=1S/C13H17N3S/c1-3-12(13-6-5-7-17-13)14-8-11-9-15-16(4-2)10-11/h4-7,9-10,12,14H,2-3,8H2,1H3
InChIKeyJFUZKQHHMNRTND-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.29
Rot. Bonds6

About N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 106936694) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID106936694
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESC=Cn1cc(CNC(CC)c2cccs2)cn1
InChIInChI=1S/C13H17N3S/c1-3-12(13-6-5-7-17-13)14-8-11-9-15-16(4-2)10-11/h4-7,9-10,12,14H,2-3,8H2,1H3
InChIKeyJFUZKQHHMNRTND-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethenylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 106936202
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 106936984
N-[(1-ethenylpyrazol-4-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 106937386
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol
CID 64830398
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 106937397
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 64800874
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 106936694) is N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine is C=Cn1cc(CNC(CC)c2cccs2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is JFUZKQHHMNRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-12(13-6-5-7-17-13)14-8-11-9-15-16(4-2)10-11/h4-7,9-10,12,14H,2-3,8H2,1H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 106936694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).