(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C13H7F2N3O — CID 118679658

IUPAC(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)c1cccc(F)c1F
InChIInChI=1S/C13H7F2N3O/c14-9-4-1-3-8(12(9)15)13(19)10-7-11-16-5-2-6-18(11)17-10/h1-7H
InChIKeyDLDWJXUTTLEKIR-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.24
Rot. Bonds2

About (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 118679658) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID118679658
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)c1cccc(F)c1F
InChIInChI=1S/C13H7F2N3O/c14-9-4-1-3-8(12(9)15)13(19)10-7-11-16-5-2-6-18(11)17-10/h1-7H
InChIKeyDLDWJXUTTLEKIR-UHFFFAOYSA-N
XLogP2.24
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679660
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
CID 107976884
(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
carbamoyl pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 140778817
[(3S)-3-fluoropyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 139021652
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440184
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 19441887
N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 74242766
N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 95200016

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 118679658) is (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is O=C(c1cc2ncccn2n1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is DLDWJXUTTLEKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-9-4-1-3-8(12(9)15)13(19)10-7-11-16-5-2-6-18(11)17-10/h1-7H.
What are the key properties of (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 259.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 118679658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).