2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid

C13H11F2N3O4 — CID 19482526

IUPAC2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H11F2N3O4/c14-13(15)22-9-3-1-8(2-4-9)17-12(21)10-5-6-16-18(10)7-11(19)20/h1-6,13H,7H2,(H,17,21)(H,19,20)
InChIKeyFIQHRIWLKFTTIY-UHFFFAOYSA-N
MW311.24 g/mol
LogP1.82
Rot. Bonds6

About 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid

2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19482526) has the molecular formula C13H11F2N3O4 and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19482526
Molecular FormulaC13H11F2N3O4
Molecular Weight311.24 g/mol
Exact Mass311.07
IUPAC Name2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H11F2N3O4/c14-13(15)22-9-3-1-8(2-4-9)17-12(21)10-5-6-16-18(10)7-11(19)20/h1-6,13H,7H2,(H,17,21)(H,19,20)
InChIKeyFIQHRIWLKFTTIY-UHFFFAOYSA-N
XLogP1.82
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19482526) is 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is FIQHRIWLKFTTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O4/c14-13(15)22-9-3-1-8(2-4-9)17-12(21)10-5-6-16-18(10)7-11(19)20/h1-6,13H,7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 311.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).