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

C16H9F4N5O — CID 19449184

IUPACN-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C16H9F4N5O/c17-14(18)10-5-12(15(19)20)25-13(22-10)6-11(24-25)16(26)23-9-4-2-1-3-8(9)7-21/h1-6,14-15H,(H,23,26)
InChIKeyJILSTCNEGAWNMK-UHFFFAOYSA-N
MW363.27 g/mol
LogP3.73
Rot. Bonds4

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

N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449184) has the molecular formula C16H9F4N5O and a molecular weight of 363.27 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449184
Molecular FormulaC16H9F4N5O
Molecular Weight363.27 g/mol
Exact Mass363.07
IUPAC NameN-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C16H9F4N5O/c17-14(18)10-5-12(15(19)20)25-13(22-10)6-11(24-25)16(26)23-9-4-2-1-3-8(9)7-21/h1-6,14-15H,(H,23,26)
InChIKeyJILSTCNEGAWNMK-UHFFFAOYSA-N
XLogP3.73
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-bis(difluoromethyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449179
N-(4-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000587
N-(3-chloro-4-fluorophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 998467
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163
5,7-bis(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404889
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
5,7-bis(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449195
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449221
5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449185
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449184) is N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is N#Cc1ccccc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JILSTCNEGAWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N5O/c17-14(18)10-5-12(15(19)20)25-13(22-10)6-11(24-25)16(26)23-9-4-2-1-3-8(9)7-21/h1-6,14-15H,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 363.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).