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

C9H4F6N4O — CID 71345300

IUPAC5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C9H4F6N4O/c10-8(11,12)4-1-5(9(13,14)15)19-7(18-4)3(2-17-19)6(16)20/h1-2H,(H2,16,20)
InChIKeyCMQQDFQCTGOTQF-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.87
Rot. Bonds1

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

5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71345300) has the molecular formula C9H4F6N4O and a molecular weight of 298.15 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71345300
Molecular FormulaC9H4F6N4O
Molecular Weight298.15 g/mol
Exact Mass298.03
IUPAC Name5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C9H4F6N4O/c10-8(11,12)4-1-5(9(13,14)15)19-7(18-4)3(2-17-19)6(16)20/h1-2H,(H2,16,20)
InChIKeyCMQQDFQCTGOTQF-UHFFFAOYSA-N
XLogP1.87
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
N'-(acetyloxy)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 5715582
[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl](piperidin-1-yl)methanone
CID 1093978
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2736143
N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
1-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-4-piperidinecarboxamide
CID 969761
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71345300) is 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12.
What is the InChIKey of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CMQQDFQCTGOTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N4O/c10-8(11,12)4-1-5(9(13,14)15)19-7(18-4)3(2-17-19)6(16)20/h1-2H,(H2,16,20).
What are the key properties of 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 298.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71345300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).