1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine

C8H10N4S — CID 103078664

IUPAC1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine
SMILESCn1cc(N)c(Nc2ccsc2)n1
InChIInChI=1S/C8H10N4S/c1-12-4-7(9)8(11-12)10-6-2-3-13-5-6/h2-5H,9H2,1H3,(H,10,11)
InChIKeyGEGWTGNARKNDRQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.81
Rot. Bonds2

About 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine

1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine (PubChem CID 103078664) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine
PubChem CID103078664
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine
SMILESCn1cc(N)c(Nc2ccsc2)n1
InChIInChI=1S/C8H10N4S/c1-12-4-7(9)8(11-12)10-6-2-3-13-5-6/h2-5H,9H2,1H3,(H,10,11)
InChIKeyGEGWTGNARKNDRQ-UHFFFAOYSA-N
XLogP1.81
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine (CID 103078664) is 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine is Cn1cc(N)c(Nc2ccsc2)n1.
What is the InChIKey of 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine?
The InChIKey is GEGWTGNARKNDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12-4-7(9)8(11-12)10-6-2-3-13-5-6/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine?
1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine has a molecular weight of 194.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-thiophen-3-ylpyrazole-3,4-diamine is sourced from PubChem (CID 103078664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).