1-thiophen-3-ylpyrazole-4,5-diamine

C7H8N4S — CID 22062307

IUPAC1-thiophen-3-ylpyrazole-4,5-diamine
SMILESNc1cnn(-c2ccsc2)c1N
InChIInChI=1S/C7H8N4S/c8-6-3-10-11(7(6)9)5-1-2-12-4-5/h1-4H,8-9H2
InChIKeyPXCMTAHTWFMBPB-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.10
Rot. Bonds1

About 1-thiophen-3-ylpyrazole-4,5-diamine

1-thiophen-3-ylpyrazole-4,5-diamine (PubChem CID 22062307) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-thiophen-3-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-thiophen-3-ylpyrazole-4,5-diamine
PubChem CID22062307
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1-thiophen-3-ylpyrazole-4,5-diamine
SMILESNc1cnn(-c2ccsc2)c1N
InChIInChI=1S/C7H8N4S/c8-6-3-10-11(7(6)9)5-1-2-12-4-5/h1-4H,8-9H2
InChIKeyPXCMTAHTWFMBPB-UHFFFAOYSA-N
XLogP1.10
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpyrazole-4,5-diamine?
The IUPAC name of 1-thiophen-3-ylpyrazole-4,5-diamine (CID 22062307) is 1-thiophen-3-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-thiophen-3-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-thiophen-3-ylpyrazole-4,5-diamine is Nc1cnn(-c2ccsc2)c1N.
What is the InChIKey of 1-thiophen-3-ylpyrazole-4,5-diamine?
The InChIKey is PXCMTAHTWFMBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-6-3-10-11(7(6)9)5-1-2-12-4-5/h1-4H,8-9H2.
What are the key properties of 1-thiophen-3-ylpyrazole-4,5-diamine?
1-thiophen-3-ylpyrazole-4,5-diamine has a molecular weight of 180.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylpyrazole-4,5-diamine is sourced from PubChem (CID 22062307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).