5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C9H5F4N3O2 — CID 1231735

IUPAC5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)F)cc(C(F)F)nc12
InChIInChI=1S/C9H5F4N3O2/c10-6(11)4-1-5(7(12)13)16-8(15-4)3(2-14-16)9(17)18/h1-2,6-7H,(H,17,18)
InChIKeyKVRYHKFDFZINKK-UHFFFAOYSA-N
MW263.15 g/mol
LogP2.30
Rot. Bonds3

About 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 1231735) has the molecular formula C9H5F4N3O2 and a molecular weight of 263.15 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID1231735
Molecular FormulaC9H5F4N3O2
Molecular Weight263.15 g/mol
Exact Mass263.03
IUPAC Name5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C(F)F)cc(C(F)F)nc12
InChIInChI=1S/C9H5F4N3O2/c10-6(11)4-1-5(7(12)13)16-8(15-4)3(2-14-16)9(17)18/h1-2,6-7H,(H,17,18)
InChIKeyKVRYHKFDFZINKK-UHFFFAOYSA-N
XLogP2.30
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 1231735) is 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C(F)F)cc(C(F)F)nc12.
What is the InChIKey of 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is KVRYHKFDFZINKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4N3O2/c10-6(11)4-1-5(7(12)13)16-8(15-4)3(2-14-16)9(17)18/h1-2,6-7H,(H,17,18).
What are the key properties of 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 263.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 1231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).