5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C8H7F2N3O — CID 104621498

IUPAC5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c[nH]n2c(=O)cc(C(F)F)nc12
InChIInChI=1S/C8H7F2N3O/c1-4-3-11-13-6(14)2-5(7(9)10)12-8(4)13/h2-3,7,11H,1H3
InChIKeySPBGMPQXYBVCKS-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.27
Rot. Bonds1

About 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 104621498) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID104621498
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c[nH]n2c(=O)cc(C(F)F)nc12
InChIInChI=1S/C8H7F2N3O/c1-4-3-11-13-6(14)2-5(7(9)10)12-8(4)13/h2-3,7,11H,1H3
InChIKeySPBGMPQXYBVCKS-UHFFFAOYSA-N
XLogP1.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 104621498) is 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1c[nH]n2c(=O)cc(C(F)F)nc12.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SPBGMPQXYBVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c1-4-3-11-13-6(14)2-5(7(9)10)12-8(4)13/h2-3,7,11H,1H3.
What are the key properties of 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 199.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 104621498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).