3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol

C10H13N3OS — CID 104732241

IUPAC3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol
SMILESCC(CCO)Sc1nccn2nccc12
InChIInChI=1S/C10H13N3OS/c1-8(3-7-14)15-10-9-2-4-12-13(9)6-5-11-10/h2,4-6,8,14H,3,7H2,1H3
InChIKeyRPBSAQOFUANOCQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.59
Rot. Bonds4

About 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol

3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol (PubChem CID 104732241) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol
PubChem CID104732241
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol
SMILESCC(CCO)Sc1nccn2nccc12
InChIInChI=1S/C10H13N3OS/c1-8(3-7-14)15-10-9-2-4-12-13(9)6-5-11-10/h2,4-6,8,14H,3,7H2,1H3
InChIKeyRPBSAQOFUANOCQ-UHFFFAOYSA-N
XLogP1.59
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylethanol
CID 104732234
2-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 104732238
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-1-ol
CID 104732243
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 104732248
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylbutan-2-ol
CID 107771049
2-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 113446440
6-Methylsulfanylpyrazolo[1,5-a]pyrazine
CID 170375120
3-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730073
2-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730078
2-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid
CID 104730082
2-Methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730106
2-[1-(Pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid
CID 104730110

Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol?
The IUPAC name of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol (CID 104732241) is 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol is CC(CCO)Sc1nccn2nccc12.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol?
The InChIKey is RPBSAQOFUANOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8(3-7-14)15-10-9-2-4-12-13(9)6-5-11-10/h2,4-6,8,14H,3,7H2,1H3.
What are the key properties of 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol?
3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol has a molecular weight of 223.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutan-1-ol is sourced from PubChem (CID 104732241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).