[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone

C20H20F2N4O — CID 3158188

IUPAC[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)C1
InChIInChI=1S/C20H20F2N4O/c1-13-6-5-9-25(12-13)20(27)15-11-23-26-17(18(21)22)10-16(24-19(15)26)14-7-3-2-4-8-14/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3
InChIKeyBGGHKOUYVJVSJA-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.21
Rot. Bonds3

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

[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 3158188) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID3158188
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)C1
InChIInChI=1S/C20H20F2N4O/c1-13-6-5-9-25(12-13)20(27)15-11-23-26-17(18(21)22)10-16(24-19(15)26)14-7-3-2-4-8-14/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3
InChIKeyBGGHKOUYVJVSJA-UHFFFAOYSA-N
XLogP4.21
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.21
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]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 3158188) is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)C1.
What is the InChIKey of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is BGGHKOUYVJVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-13-6-5-9-25(12-13)20(27)15-11-23-26-17(18(21)22)10-16(24-19(15)26)14-7-3-2-4-8-14/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3.
What are the key properties of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 370.40 g/mol, XLogP of 4.21, 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]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3158188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).