5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C10H11F2N3O — CID 171798505

IUPAC5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(C(F)F)nc12
InChIInChI=1S/C10H11F2N3O/c1-5(2)6-4-13-15-8(16)3-7(9(11)12)14-10(6)15/h3-5,9,13H,1-2H3
InChIKeyBFWDNAYGMZUFLM-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.08
Rot. Bonds2

About 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171798505) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID171798505
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(C(F)F)nc12
InChIInChI=1S/C10H11F2N3O/c1-5(2)6-4-13-15-8(16)3-7(9(11)12)14-10(6)15/h3-5,9,13H,1-2H3
InChIKeyBFWDNAYGMZUFLM-UHFFFAOYSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171798505) is 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1c[nH]n2c(=O)cc(C(F)F)nc12.
What is the InChIKey of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BFWDNAYGMZUFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-5(2)6-4-13-15-8(16)3-7(9(11)12)14-10(6)15/h3-5,9,13H,1-2H3.
What are the key properties of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 227.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171798505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).