3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid

C9H10F2N2O3 — CID 134587428

IUPAC3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid
SMILESCC1(COc2ccn(C(=O)O)n2)CC1(F)F
InChIInChI=1S/C9H10F2N2O3/c1-8(4-9(8,10)11)5-16-6-2-3-13(12-6)7(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyQLZQWXUYBVPPRE-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.83
Rot. Bonds3

About 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid

3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid (PubChem CID 134587428) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid
PubChem CID134587428
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid
SMILESCC1(COc2ccn(C(=O)O)n2)CC1(F)F
InChIInChI=1S/C9H10F2N2O3/c1-8(4-9(8,10)11)5-16-6-2-3-13(12-6)7(14)15/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyQLZQWXUYBVPPRE-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid?
The IUPAC name of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid (CID 134587428) is 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid?
The canonical SMILES for 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid is CC1(COc2ccn(C(=O)O)n2)CC1(F)F.
What is the InChIKey of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid?
The InChIKey is QLZQWXUYBVPPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-8(4-9(8,10)11)5-16-6-2-3-13(12-6)7(14)15/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid?
3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazole-1-carboxylic acid is sourced from PubChem (CID 134587428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).