2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H13F2N3O — CID 172666283

IUPAC2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccc(F)cc2F)nc2cc(C3CC3)[nH]n12
InChIInChI=1S/C16H13F2N3O/c17-11-4-3-10(13(18)6-11)5-12-7-16(22)21-15(19-12)8-14(20-21)9-1-2-9/h3-4,6-9,20H,1-2,5H2
InChIKeyJGNCKWGCFCBPAH-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.77
Rot. Bonds3

About 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172666283) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172666283
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccc(F)cc2F)nc2cc(C3CC3)[nH]n12
InChIInChI=1S/C16H13F2N3O/c17-11-4-3-10(13(18)6-11)5-12-7-16(22)21-15(19-12)8-14(20-21)9-1-2-9/h3-4,6-9,20H,1-2,5H2
InChIKeyJGNCKWGCFCBPAH-UHFFFAOYSA-N
XLogP2.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172673083
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172670586
5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139289
2-cyclopropyl-5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054445
4-cyclopentyl-2-[(2,4-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 136729559
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237977
2-[1-[(2-amino-5-chloro-3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110238026
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98137847
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 62228510
2-amino-5-[[cyclopentyl-[(2,5-difluorophenyl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 167876004
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110238058

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172666283) is 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cc2ccc(F)cc2F)nc2cc(C3CC3)[nH]n12.
What is the InChIKey of 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JGNCKWGCFCBPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-11-4-3-10(13(18)6-11)5-12-7-16(22)21-15(19-12)8-14(20-21)9-1-2-9/h3-4,6-9,20H,1-2,5H2.
What are the key properties of 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 301.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172666283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).