5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid

C15H14F2N2O3 — CID 155311290

IUPAC5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(OC(F)F)cc2)c(C2CC2)c1C(=O)O
InChIInChI=1S/C15H14F2N2O3/c1-8-12(14(20)21)13(9-2-3-9)19(18-8)10-4-6-11(7-5-10)22-15(16)17/h4-7,9,15H,2-3H2,1H3,(H,20,21)
InChIKeyIYGZIXZPLVBGDB-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.36
Rot. Bonds5

About 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid

5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid (PubChem CID 155311290) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
PubChem CID155311290
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(OC(F)F)cc2)c(C2CC2)c1C(=O)O
InChIInChI=1S/C15H14F2N2O3/c1-8-12(14(20)21)13(9-2-3-9)19(18-8)10-4-6-11(7-5-10)22-15(16)17/h4-7,9,15H,2-3H2,1H3,(H,20,21)
InChIKeyIYGZIXZPLVBGDB-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid (CID 155311290) is 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid is Cc1nn(-c2ccc(OC(F)F)cc2)c(C2CC2)c1C(=O)O.
What is the InChIKey of 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
The InChIKey is IYGZIXZPLVBGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-8-12(14(20)21)13(9-2-3-9)19(18-8)10-4-6-11(7-5-10)22-15(16)17/h4-7,9,15H,2-3H2,1H3,(H,20,21).
What are the key properties of 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid?
5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid has a molecular weight of 308.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 155311290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).