N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H12F6N4O — CID 2821351

IUPACN-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C13H12F6N4O/c1-6(2)4-20-11(24)7-5-21-23-9(13(17,18)19)3-8(12(14,15)16)22-10(7)23/h3,5-6H,4H2,1-2H3,(H,20,24)
InChIKeyZHLMDWVKDFZANS-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.15
Rot. Bonds3

About N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2821351) has the molecular formula C13H12F6N4O and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2821351
Molecular FormulaC13H12F6N4O
Molecular Weight354.25 g/mol
Exact Mass354.09
IUPAC NameN-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)CNC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C13H12F6N4O/c1-6(2)4-20-11(24)7-5-21-23-9(13(17,18)19)3-8(12(14,15)16)22-10(7)23/h3,5-6H,4H2,1-2H3,(H,20,24)
InChIKeyZHLMDWVKDFZANS-UHFFFAOYSA-N
XLogP3.15
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2821351) is N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)CNC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12.
What is the InChIKey of N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZHLMDWVKDFZANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F6N4O/c1-6(2)4-20-11(24)7-5-21-23-9(13(17,18)19)3-8(12(14,15)16)22-10(7)23/h3,5-6H,4H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2821351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).