5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H11F5N6O — CID 19455941

IUPAC5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)Nc3ccn(C)n3)cc2n1
InChIInChI=1S/C14H11F5N6O/c1-7-5-9(13(15,16)14(17,18)19)25-11(20-7)6-8(22-25)12(26)21-10-3-4-24(2)23-10/h3-6H,1-2H3,(H,21,23,26)
InChIKeyALXUQPGKLQJRQQ-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.68
Rot. Bonds3

About 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19455941) has the molecular formula C14H11F5N6O and a molecular weight of 374.27 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19455941
Molecular FormulaC14H11F5N6O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Name5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)Nc3ccn(C)n3)cc2n1
InChIInChI=1S/C14H11F5N6O/c1-7-5-9(13(15,16)14(17,18)19)25-11(20-7)6-8(22-25)12(26)21-10-3-4-24(2)23-10/h3-6H,1-2H3,(H,21,23,26)
InChIKeyALXUQPGKLQJRQQ-UHFFFAOYSA-N
XLogP2.68
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455760
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455773
N-(1-methylpyrazol-3-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453752
N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455954
N-(4-methoxy-2-nitrophenyl)-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455763
7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458106
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449481
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455980
methyl 3-chloro-6-[[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19455953
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455856
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455890
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455854

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19455941) is 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)Nc3ccn(C)n3)cc2n1.
What is the InChIKey of 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ALXUQPGKLQJRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N6O/c1-7-5-9(13(15,16)14(17,18)19)25-11(20-7)6-8(22-25)12(26)21-10-3-4-24(2)23-10/h3-6H,1-2H3,(H,21,23,26).
What are the key properties of 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 374.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19455941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).