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

C5H5ClN2S — CID 83191676

IUPAC3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole
SMILESClc1n[nH]c2c1CSC2
InChIInChI=1S/C5H5ClN2S/c6-5-3-1-9-2-4(3)7-8-5/h1-2H2,(H,7,8)
InChIKeyLLUJSZVQQRNIBV-UHFFFAOYSA-N
MW160.63 g/mol
LogP1.81
Rot. Bonds

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

3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole (PubChem CID 83191676) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole.

Molecular Properties

Compound Name3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole
PubChem CID83191676
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole
SMILESClc1n[nH]c2c1CSC2
InChIInChI=1S/C5H5ClN2S/c6-5-3-1-9-2-4(3)7-8-5/h1-2H2,(H,7,8)
InChIKeyLLUJSZVQQRNIBV-UHFFFAOYSA-N
XLogP1.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole
CID 105473451
4,9,14,19,24,29-hexathiaheptacyclo[20.8.0.02,11.06,27.07,16.012,21.017,26]triaconta-1(22),2(11),6,12(21),16,26-hexaene
CID 121337468
3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole
CID 139516319
1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-amine
CID 82416295
2-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
CID 82398654
3-chloro-2-methyl-4,6-dihydrothieno[3,4-c]pyrazole;ethane
CID 142056542
2-(2,2,2-trifluoroethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481561
4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83191020
3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
(5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole
CID 163485881
1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
CID 83847816
2-(1,4-dithian-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole?
The IUPAC name of 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole (CID 83191676) is 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole.
What is the SMILES notation for 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole?
The canonical SMILES for 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole is Clc1n[nH]c2c1CSC2.
What is the InChIKey of 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole?
The InChIKey is LLUJSZVQQRNIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c6-5-3-1-9-2-4(3)7-8-5/h1-2H2,(H,7,8).
What are the key properties of 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole?
3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole has a molecular weight of 160.63 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,6-dihydro-1H-thieno[3,4-d]pyrazole is sourced from PubChem (CID 83191676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).