2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid

C12H13N3O3 — CID 113446805

IUPAC2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2ccn3nccc3c2=O)CC1
InChIInChI=1S/C12H13N3O3/c16-10(17)7-12(2-3-12)8-14-5-6-15-9(11(14)18)1-4-13-15/h1,4-6H,2-3,7-8H2,(H,16,17)
InChIKeyVUPKWYDQXAJCOU-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.75
Rot. Bonds4

About 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid

2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid (PubChem CID 113446805) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid
PubChem CID113446805
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2ccn3nccc3c2=O)CC1
InChIInChI=1S/C12H13N3O3/c16-10(17)7-12(2-3-12)8-14-5-6-15-9(11(14)18)1-4-13-15/h1,4-6H,2-3,7-8H2,(H,16,17)
InChIKeyVUPKWYDQXAJCOU-UHFFFAOYSA-N
XLogP0.75
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498245
(E)-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734580
(Z)-2-methyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734602
2-amino-6-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104825110
2-[1-[(5-methylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
CID 65497608
5-(3-hydroxybutyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104735134
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945
2-[1-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]cyclopropyl]acetic acid
CID 80582719
5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
CID 146079696
5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735055
trifluoro-[3-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)prop-1-en-2-yl]boranuide
CID 106746464
3-fluoro-4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104735515

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid (CID 113446805) is 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid is O=C(O)CC1(Cn2ccn3nccc3c2=O)CC1.
What is the InChIKey of 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is VUPKWYDQXAJCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-10(17)7-12(2-3-12)8-14-5-6-15-9(11(14)18)1-4-13-15/h1,4-6H,2-3,7-8H2,(H,16,17).
What are the key properties of 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 113446805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).