[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone

C18H16F2N4O — CID 969813

IUPAC[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCC1
InChIInChI=1S/C18H16F2N4O/c19-16(20)15-10-14(12-6-2-1-3-7-12)22-17-13(11-21-24(15)17)18(25)23-8-4-5-9-23/h1-3,6-7,10-11,16H,4-5,8-9H2
InChIKeyBWJJDXUSPPOWDG-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.57
Rot. Bonds3

About [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone

[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 969813) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID969813
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCC1
InChIInChI=1S/C18H16F2N4O/c19-16(20)15-10-14(12-6-2-1-3-7-12)22-17-13(11-21-24(15)17)18(25)23-8-4-5-9-23/h1-3,6-7,10-11,16H,4-5,8-9H2
InChIKeyBWJJDXUSPPOWDG-UHFFFAOYSA-N
XLogP3.57
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone (CID 969813) is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCC1.
What is the InChIKey of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BWJJDXUSPPOWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-16(20)15-10-14(12-6-2-1-3-7-12)22-17-13(11-21-24(15)17)18(25)23-8-4-5-9-23/h1-3,6-7,10-11,16H,4-5,8-9H2.
What are the key properties of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 342.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 969813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).