5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H17F4N5O — CID 19449185

IUPAC5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)CC1
InChIInChI=1S/C15H17F4N5O/c1-23-4-2-8(3-5-23)20-15(25)10-7-12-21-9(13(16)17)6-11(14(18)19)24(12)22-10/h6-8,13-14H,2-5H2,1H3,(H,20,25)
InChIKeyUCRJJGGVYCIMOQ-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.43
Rot. Bonds4

About 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449185) has the molecular formula C15H17F4N5O and a molecular weight of 359.33 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449185
Molecular FormulaC15H17F4N5O
Molecular Weight359.33 g/mol
Exact Mass359.14
IUPAC Name5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)CC1
InChIInChI=1S/C15H17F4N5O/c1-23-4-2-8(3-5-23)20-15(25)10-7-12-21-9(13(16)17)6-11(14(18)19)24(12)22-10/h6-8,13-14H,2-5H2,1H3,(H,20,25)
InChIKeyUCRJJGGVYCIMOQ-UHFFFAOYSA-N
XLogP2.43
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-bis(difluoromethyl)-N-(2,3,5,6-tetrafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447537
N-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166262697
5,7-bis(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19332314
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 998467
N-(4-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000587
N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449184
5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466393
5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449179
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453911
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
7-[chloro(difluoro)methyl]-N-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457963

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449185) is 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CN1CCC(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)CC1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UCRJJGGVYCIMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N5O/c1-23-4-2-8(3-5-23)20-15(25)10-7-12-21-9(13(16)17)6-11(14(18)19)24(12)22-10/h6-8,13-14H,2-5H2,1H3,(H,20,25).
What are the key properties of 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).