2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid

C17H17ClFN3O2 — CID 155956076

IUPAC2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C17H17ClFN3O2/c18-14-7-11(19)3-4-13(14)16(17(23)24)21-5-6-22-12(9-21)8-15(20-22)10-1-2-10/h3-4,7-8,10,16H,1-2,5-6,9H2,(H,23,24)
InChIKeyFMXFTBDYFGOCEW-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid

2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid (PubChem CID 155956076) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid
PubChem CID155956076
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C17H17ClFN3O2/c18-14-7-11(19)3-4-13(14)16(17(23)24)21-5-6-22-12(9-21)8-15(20-22)10-1-2-10/h3-4,7-8,10,16H,1-2,5-6,9H2,(H,23,24)
InChIKeyFMXFTBDYFGOCEW-UHFFFAOYSA-N
XLogP3.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid (CID 155956076) is 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid is O=C(O)C(c1ccc(F)cc1Cl)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
The InChIKey is FMXFTBDYFGOCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-14-7-11(19)3-4-13(14)16(17(23)24)21-5-6-22-12(9-21)8-15(20-22)10-1-2-10/h3-4,7-8,10,16H,1-2,5-6,9H2,(H,23,24).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid has a molecular weight of 349.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid is sourced from PubChem (CID 155956076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).