1H-thieno[2,3-d]pyrazole;hydrochloride

C5H5ClN2S — CID 174498962

IUPAC1H-thieno[2,3-d]pyrazole;hydrochloride
SMILESCl.c1cc2[nH]ncc2s1
InChIInChI=1S/C5H4N2S.ClH/c1-2-8-5-3-6-7-4(1)5;/h1-3H,(H,6,7);1H
InChIKeyCBUPXILLQSNNEX-UHFFFAOYSA-N
MW160.63 g/mol
LogP2.05
Rot. Bonds

About 1H-thieno[2,3-d]pyrazole;hydrochloride

1H-thieno[2,3-d]pyrazole;hydrochloride (PubChem CID 174498962) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 1H-thieno[2,3-d]pyrazole;hydrochloride.

Molecular Properties

Compound Name1H-thieno[2,3-d]pyrazole;hydrochloride
PubChem CID174498962
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name1H-thieno[2,3-d]pyrazole;hydrochloride
SMILESCl.c1cc2[nH]ncc2s1
InChIInChI=1S/C5H4N2S.ClH/c1-2-8-5-3-6-7-4(1)5;/h1-3H,(H,6,7);1H
InChIKeyCBUPXILLQSNNEX-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-1H-thieno[2,3-d]pyrazol-5-amine
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1H-indazol-4-amine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1H-thieno[2,3-d]pyrazole;hydrochloride?
The IUPAC name of 1H-thieno[2,3-d]pyrazole;hydrochloride (CID 174498962) is 1H-thieno[2,3-d]pyrazole;hydrochloride.
What is the SMILES notation for 1H-thieno[2,3-d]pyrazole;hydrochloride?
The canonical SMILES for 1H-thieno[2,3-d]pyrazole;hydrochloride is Cl.c1cc2[nH]ncc2s1.
What is the InChIKey of 1H-thieno[2,3-d]pyrazole;hydrochloride?
The InChIKey is CBUPXILLQSNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S.ClH/c1-2-8-5-3-6-7-4(1)5;/h1-3H,(H,6,7);1H.
What are the key properties of 1H-thieno[2,3-d]pyrazole;hydrochloride?
1H-thieno[2,3-d]pyrazole;hydrochloride has a molecular weight of 160.63 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thieno[2,3-d]pyrazole;hydrochloride is sourced from PubChem (CID 174498962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).