2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid

C9H10F2N2O2 — CID 7018686

IUPAC2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C9H10F2N2O2/c10-9(11)7-3-6(5-1-2-5)12-13(7)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15)
InChIKeyGBBLFSIRMZHIRY-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.78
Rot. Bonds4

About 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 7018686) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID7018686
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C9H10F2N2O2/c10-9(11)7-3-6(5-1-2-5)12-13(7)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15)
InChIKeyGBBLFSIRMZHIRY-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid (CID 7018686) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1nc(C2CC2)cc1C(F)F.
What is the InChIKey of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is GBBLFSIRMZHIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-9(11)7-3-6(5-1-2-5)12-13(7)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15).
What are the key properties of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid?
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 216.19 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 7018686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).