4,5-dihydro-1H-thieno[3,2-d]pyrazole

C5H6N2S — CID 130205926

IUPAC4,5-dihydro-1H-thieno[3,2-d]pyrazole
SMILESc1n[nH]c2c1CCS2
InChIInChI=1S/C5H6N2S/c1-2-8-5-4(1)3-6-7-5/h3H,1-2H2,(H,6,7)
InChIKeyCVRRKFFELWGILQ-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.06
Rot. Bonds

About 4,5-dihydro-1H-thieno[3,2-d]pyrazole

4,5-dihydro-1H-thieno[3,2-d]pyrazole (PubChem CID 130205926) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4,5-dihydro-1H-thieno[3,2-d]pyrazole.

Molecular Properties

Compound Name4,5-dihydro-1H-thieno[3,2-d]pyrazole
PubChem CID130205926
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4,5-dihydro-1H-thieno[3,2-d]pyrazole
SMILESc1n[nH]c2c1CCS2
InChIInChI=1S/C5H6N2S/c1-2-8-5-4(1)3-6-7-5/h3H,1-2H2,(H,6,7)
InChIKeyCVRRKFFELWGILQ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dihydro-1H-thieno[3,4-c]pyrazole
CID 2753356
4-ethyl-5-propylsulfanyl-1H-pyrazole
CID 68238236
5-ethylsulfanyl-4-methyl-1H-pyrazole
CID 68394540
4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile
CID 89244229
4-tert-butyl-5-(2,2-dimethylpropylsulfanyl)-1H-pyrazole
CID 118603769
4-ethyl-5-ethylsulfanyl-1H-pyrazole
CID 122463144
4-Methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole
CID 123574213
5-(2,2-dimethylpropylsulfanyl)-4-(2-iodopropan-2-yl)-1H-pyrazole
CID 134197561
5-methylsulfanyl-4-propan-2-yl-1H-pyrazole
CID 134442376
5-ethenylsulfanyl-4-propan-2-yl-1H-pyrazole
CID 143329294
ethane;5-ethylsulfanyl-4-propan-2-yl-1H-pyrazole;molecular hydrogen
CID 144709115
4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole
CID 170965101

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-thieno[3,2-d]pyrazole?
The IUPAC name of 4,5-dihydro-1H-thieno[3,2-d]pyrazole (CID 130205926) is 4,5-dihydro-1H-thieno[3,2-d]pyrazole.
What is the SMILES notation for 4,5-dihydro-1H-thieno[3,2-d]pyrazole?
The canonical SMILES for 4,5-dihydro-1H-thieno[3,2-d]pyrazole is c1n[nH]c2c1CCS2.
What is the InChIKey of 4,5-dihydro-1H-thieno[3,2-d]pyrazole?
The InChIKey is CVRRKFFELWGILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-2-8-5-4(1)3-6-7-5/h3H,1-2H2,(H,6,7).
What are the key properties of 4,5-dihydro-1H-thieno[3,2-d]pyrazole?
4,5-dihydro-1H-thieno[3,2-d]pyrazole has a molecular weight of 126.18 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-thieno[3,2-d]pyrazole is sourced from PubChem (CID 130205926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).