[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C22H19F2N5O2 — CID 50809219

IUPAC[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1
InChIInChI=1S/C22H19F2N5O2/c1-13-10-17(27-31-13)18-8-5-9-28(18)22(30)15-12-25-29-19(20(23)24)11-16(26-21(15)29)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,20H,5,8-9H2,1H3
InChIKeyMNCULPUWOKVWPS-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.61
Rot. Bonds4

About [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 50809219) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID50809219
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1
InChIInChI=1S/C22H19F2N5O2/c1-13-10-17(27-31-13)18-8-5-9-28(18)22(30)15-12-25-29-19(20(23)24)11-16(26-21(15)29)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,20H,5,8-9H2,1H3
InChIKeyMNCULPUWOKVWPS-UHFFFAOYSA-N
XLogP4.61
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 50809219) is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1.
What is the InChIKey of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MNCULPUWOKVWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-13-10-17(27-31-13)18-8-5-9-28(18)22(30)15-12-25-29-19(20(23)24)11-16(26-21(15)29)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,20H,5,8-9H2,1H3.
What are the key properties of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 423.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50809219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).