3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C17H14FN3O4 — CID 152697104

IUPAC3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCOc1ccc(-c2cn3nc(C(=O)O)c(C4CC4)c3c(=O)[nH]2)cc1F
InChIInChI=1S/C17H14FN3O4/c1-25-12-5-4-9(6-10(12)18)11-7-21-15(16(22)19-11)13(8-2-3-8)14(20-21)17(23)24/h4-8H,2-3H2,1H3,(H,19,22)(H,23,24)
InChIKeyZQUJCAQOPYGERW-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.41
Rot. Bonds4

About 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 152697104) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID152697104
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCOc1ccc(-c2cn3nc(C(=O)O)c(C4CC4)c3c(=O)[nH]2)cc1F
InChIInChI=1S/C17H14FN3O4/c1-25-12-5-4-9(6-10(12)18)11-7-21-15(16(22)19-11)13(8-2-3-8)14(20-21)17(23)24/h4-8H,2-3H2,1H3,(H,19,22)(H,23,24)
InChIKeyZQUJCAQOPYGERW-UHFFFAOYSA-N
XLogP2.41
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 152549900
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 82486252
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
2-(4-chloro-3-methoxyphenyl)-5-cyclopropyl-N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 156738553
1-tert-butyl-3-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 43324410
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
5-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969652
4-bromo-3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858402
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 152697104) is 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is COc1ccc(-c2cn3nc(C(=O)O)c(C4CC4)c3c(=O)[nH]2)cc1F.
What is the InChIKey of 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is ZQUJCAQOPYGERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-25-12-5-4-9(6-10(12)18)11-7-21-15(16(22)19-11)13(8-2-3-8)14(20-21)17(23)24/h4-8H,2-3H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 343.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 152697104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).