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

C15H16F2N4O — CID 1256831

IUPAC[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCCC1
InChIInChI=1S/C15H16F2N4O/c16-13(17)12-7-11(9-3-4-9)19-14-10(8-18-21(12)14)15(22)20-5-1-2-6-20/h7-9,13H,1-6H2
InChIKeyOXQCYOROSMTBCB-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.78
Rot. Bonds3

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

[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 1256831) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID1256831
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCCC1
InChIInChI=1S/C15H16F2N4O/c16-13(17)12-7-11(9-3-4-9)19-14-10(8-18-21(12)14)15(22)20-5-1-2-6-20/h7-9,13H,1-6H2
InChIKeyOXQCYOROSMTBCB-UHFFFAOYSA-N
XLogP2.78
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 29091602
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768384
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 110223043
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4767804
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020431
azepan-1-yl-[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4772783
ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51694738
[(2S)-2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 92566601
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 3158188
5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4051025
5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768985

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone (CID 1256831) is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCCC1.
What is the InChIKey of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OXQCYOROSMTBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c16-13(17)12-7-11(9-3-4-9)19-14-10(8-18-21(12)14)15(22)20-5-1-2-6-20/h7-9,13H,1-6H2.
What are the key properties of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone?
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 306.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1256831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).