4,6-dihydro-1H-thieno[3,4-d]pyrazole

C5H6N2S — CID 2753356

IUPAC4,6-dihydro-1H-thieno[3,4-d]pyrazole
SMILESc1n[nH]c2c1CSC2
InChIInChI=1S/C5H6N2S/c1-4-2-8-3-5(4)7-6-1/h1H,2-3H2,(H,6,7)
InChIKeyWFUOVUVQGMHJCW-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.16
Rot. Bonds

About 4,6-dihydro-1H-thieno[3,4-d]pyrazole

4,6-dihydro-1H-thieno[3,4-d]pyrazole (PubChem CID 2753356) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4,6-dihydro-1H-thieno[3,4-d]pyrazole.

Molecular Properties

Compound Name4,6-dihydro-1H-thieno[3,4-d]pyrazole
PubChem CID2753356
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4,6-dihydro-1H-thieno[3,4-d]pyrazole
SMILESc1n[nH]c2c1CSC2
InChIInChI=1S/C5H6N2S/c1-4-2-8-3-5(4)7-6-1/h1H,2-3H2,(H,6,7)
InChIKeyWFUOVUVQGMHJCW-UHFFFAOYSA-N
XLogP1.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 151780586
4,6-Dihydro-1H-thieno[3,4-c]pyrazole 5,5-dioxide
CID 10909828
2-[[5-(2-aminoethylsulfanylmethyl)-1H-pyrazol-4-yl]methylsulfanyl]ethanamine
CID 20567838
(5-methyl-1H-pyrazol-4-yl)methanethiol
CID 20648898
CID 59355420
CID 59355420
1,4-Dihydropyrrolo[3,4-d]pyrazole
CID 118472094
5-methyl-4-(methylsulfanylmethyl)-1H-pyrazole
CID 123858983
4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole
CID 129314725
4,5-dihydro-1H-thieno[3,2-d]pyrazole
CID 130205926
5-methyl-1H-pyrazole;3-methylthiolane
CID 145505406
(4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole
CID 146331729
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiolan-3-amine
CID 61004496

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydro-1H-thieno[3,4-d]pyrazole?
The IUPAC name of 4,6-dihydro-1H-thieno[3,4-d]pyrazole (CID 2753356) is 4,6-dihydro-1H-thieno[3,4-d]pyrazole.
What is the SMILES notation for 4,6-dihydro-1H-thieno[3,4-d]pyrazole?
The canonical SMILES for 4,6-dihydro-1H-thieno[3,4-d]pyrazole is c1n[nH]c2c1CSC2.
What is the InChIKey of 4,6-dihydro-1H-thieno[3,4-d]pyrazole?
The InChIKey is WFUOVUVQGMHJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-4-2-8-3-5(4)7-6-1/h1H,2-3H2,(H,6,7).
What are the key properties of 4,6-dihydro-1H-thieno[3,4-d]pyrazole?
4,6-dihydro-1H-thieno[3,4-d]pyrazole has a molecular weight of 126.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydro-1H-thieno[3,4-d]pyrazole is sourced from PubChem (CID 2753356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).