1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine

C12H17N3S — CID 83222729

IUPAC1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine
SMILESCC(C)CCn1cc(N)c(-c2ccsc2)n1
InChIInChI=1S/C12H17N3S/c1-9(2)3-5-15-7-11(13)12(14-15)10-4-6-16-8-10/h4,6-9H,3,5,13H2,1-2H3
InChIKeyGZIFNTRMYUOJOF-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.24
Rot. Bonds4

About 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine

1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine (PubChem CID 83222729) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine
PubChem CID83222729
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine
SMILESCC(C)CCn1cc(N)c(-c2ccsc2)n1
InChIInChI=1S/C12H17N3S/c1-9(2)3-5-15-7-11(13)12(14-15)10-4-6-16-8-10/h4,6-9H,3,5,13H2,1-2H3
InChIKeyGZIFNTRMYUOJOF-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine?
The IUPAC name of 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine (CID 83222729) is 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine.
What is the SMILES notation for 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine?
The canonical SMILES for 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine is CC(C)CCn1cc(N)c(-c2ccsc2)n1.
What is the InChIKey of 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine?
The InChIKey is GZIFNTRMYUOJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(2)3-5-15-7-11(13)12(14-15)10-4-6-16-8-10/h4,6-9H,3,5,13H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine?
1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine has a molecular weight of 235.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-thiophen-3-ylpyrazol-4-amine is sourced from PubChem (CID 83222729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).