1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine

C9H11N3S — CID 4737047

IUPAC1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCc1c(-c2cccs2)nn(C)c1N
InChIInChI=1S/C9H11N3S/c1-6-8(7-4-3-5-13-7)11-12(2)9(6)10/h3-5H,10H2,1-2H3
InChIKeyGSIMHEHUPNEDFX-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.04
Rot. Bonds1

About 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine

1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 4737047) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
PubChem CID4737047
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCc1c(-c2cccs2)nn(C)c1N
InChIInChI=1S/C9H11N3S/c1-6-8(7-4-3-5-13-7)11-12(2)9(6)10/h3-5H,10H2,1-2H3
InChIKeyGSIMHEHUPNEDFX-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine (CID 4737047) is 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine is Cc1c(-c2cccs2)nn(C)c1N.
What is the InChIKey of 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is GSIMHEHUPNEDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-8(7-4-3-5-13-7)11-12(2)9(6)10/h3-5H,10H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine?
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 193.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 4737047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).