N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine

C13H19N3S — CID 114251064

IUPACN-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine
SMILESCNC(C)c1ccc(-c2ccn(C(C)C)n2)s1
InChIInChI=1S/C13H19N3S/c1-9(2)16-8-7-11(15-16)13-6-5-12(17-13)10(3)14-4/h5-10,14H,1-4H3
InChIKeyWOUPUFRXLGFLDN-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.47
Rot. Bonds4

About N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine

N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine (PubChem CID 114251064) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine
PubChem CID114251064
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine
SMILESCNC(C)c1ccc(-c2ccn(C(C)C)n2)s1
InChIInChI=1S/C13H19N3S/c1-9(2)16-8-7-11(15-16)13-6-5-12(17-13)10(3)14-4/h5-10,14H,1-4H3
InChIKeyWOUPUFRXLGFLDN-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine (CID 114251064) is N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine is CNC(C)c1ccc(-c2ccn(C(C)C)n2)s1.
What is the InChIKey of N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine?
The InChIKey is WOUPUFRXLGFLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)16-8-7-11(15-16)13-6-5-12(17-13)10(3)14-4/h5-10,14H,1-4H3.
What are the key properties of N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine?
N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-propan-2-ylpyrazol-3-yl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 114251064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).