2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid

C12H13N3O2S — CID 104730110

IUPAC2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSc2nccn3nccc23)CC1
InChIInChI=1S/C12H13N3O2S/c16-10(17)7-12(2-3-12)8-18-11-9-1-4-14-15(9)6-5-13-11/h1,4-6H,2-3,7-8H2,(H,16,17)
InChIKeyRJNOWXJIKXMXBV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.08
Rot. Bonds5

About 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid

2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid (PubChem CID 104730110) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid
PubChem CID104730110
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSc2nccn3nccc23)CC1
InChIInChI=1S/C12H13N3O2S/c16-10(17)7-12(2-3-12)8-18-11-9-1-4-14-15(9)6-5-13-11/h1,4-6H,2-3,7-8H2,(H,16,17)
InChIKeyRJNOWXJIKXMXBV-UHFFFAOYSA-N
XLogP2.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730073
3-(2-Tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylpropanoic acid
CID 104730075
2-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730078
2-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylacetic acid
CID 104730082
2-(2-Tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetic acid
CID 104730084
2-Methyl-3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylpropanoic acid
CID 104730106
3-(2-Tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-2-methylpropanoic acid
CID 104730108
2-[1-[(2-Propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid
CID 104730111
3-Pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutanoic acid
CID 104730116
3-(2-Methylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylbutanoic acid
CID 104730117
3-(2-Tert-butylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylbutanoic acid
CID 104730118
Methyl 3-pyrazolo[1,5-a]pyrazin-4-ylsulfanylbutanoate
CID 104730121

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid (CID 104730110) is 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CSc2nccn3nccc23)CC1.
What is the InChIKey of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid?
The InChIKey is RJNOWXJIKXMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-10(17)7-12(2-3-12)8-18-11-9-1-4-14-15(9)6-5-13-11/h1,4-6H,2-3,7-8H2,(H,16,17).
What are the key properties of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylsulfanylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 104730110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).