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

C7H8N4S — CID 70317138

IUPAC1-thiophen-3-ylpyrazole-3,4-diamine
SMILESNc1cn(-c2ccsc2)nc1N
InChIInChI=1S/C7H8N4S/c8-6-3-11(10-7(6)9)5-1-2-12-4-5/h1-4H,8H2,(H2,9,10)
InChIKeyQUGLPWKTOMUYAW-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.10
Rot. Bonds1

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

1-thiophen-3-ylpyrazole-3,4-diamine (PubChem CID 70317138) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-thiophen-3-ylpyrazole-3,4-diamine.

Molecular Properties

Compound Name1-thiophen-3-ylpyrazole-3,4-diamine
PubChem CID70317138
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name1-thiophen-3-ylpyrazole-3,4-diamine
SMILESNc1cn(-c2ccsc2)nc1N
InChIInChI=1S/C7H8N4S/c8-6-3-11(10-7(6)9)5-1-2-12-4-5/h1-4H,8H2,(H2,9,10)
InChIKeyQUGLPWKTOMUYAW-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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Related Compounds

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1-Thiophen-3-ylpyrazole-4,5-diamine
CID 22062307
tert-butyl N-(3-amino-1-thiophen-3-ylpyrazol-4-yl)carbamate
CID 57971510
(3-Amino-1-thiophen-3-ylpyrazol-4-yl)-tert-butylcarbamic acid
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2-(1H-pyrazol-1-yl)thiophen-3-amine
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1-Thiophen-2-ylpyrazol-3-amine
CID 70361976
(3-Amino-1-thiophen-3-ylpyrazol-4-yl)carbamic acid
CID 71133914
1-Thiophen-3-ylpyrazol-3-amine
CID 175149707
1-(2-Thiophen-2-ylsulfanylethyl)pyrazol-4-amine
CID 62137010
1-(3-Thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
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CID 63316301

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpyrazole-3,4-diamine?
The IUPAC name of 1-thiophen-3-ylpyrazole-3,4-diamine (CID 70317138) is 1-thiophen-3-ylpyrazole-3,4-diamine.
What is the SMILES notation for 1-thiophen-3-ylpyrazole-3,4-diamine?
The canonical SMILES for 1-thiophen-3-ylpyrazole-3,4-diamine is Nc1cn(-c2ccsc2)nc1N.
What is the InChIKey of 1-thiophen-3-ylpyrazole-3,4-diamine?
The InChIKey is QUGLPWKTOMUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-6-3-11(10-7(6)9)5-1-2-12-4-5/h1-4H,8H2,(H2,9,10).
What are the key properties of 1-thiophen-3-ylpyrazole-3,4-diamine?
1-thiophen-3-ylpyrazole-3,4-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-3,4-diamine is sourced from PubChem (CID 70317138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).