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

C17H17F5N6O — CID 19441024

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc2nc(C)cc(C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C17H17F5N6O/c1-4-27-11(5-6-23-27)9-26(3)15(29)12-8-14-24-10(2)7-13(28(14)25-12)16(18,19)17(20,21)22/h5-8H,4,9H2,1-3H3
InChIKeyQPJJVKXOVLWHPO-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.18
Rot. Bonds5

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

N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441024) has the molecular formula C17H17F5N6O and a molecular weight of 416.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441024
Molecular FormulaC17H17F5N6O
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc2nc(C)cc(C(F)(F)C(F)(F)F)n2n1
InChIInChI=1S/C17H17F5N6O/c1-4-27-11(5-6-23-27)9-26(3)15(29)12-8-14-24-10(2)7-13(28(14)25-12)16(18,19)17(20,21)22/h5-8H,4,9H2,1-3H3
InChIKeyQPJJVKXOVLWHPO-UHFFFAOYSA-N
XLogP3.18
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440917
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
N,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440913
N,5-dimethyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77091738
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
7-[chloro(difluoro)methyl]-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441060
5-(3,4-dimethylphenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458345
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-ethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-N-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450001
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19454341
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278608
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441266

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441024) is N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1nccc1CN(C)C(=O)c1cc2nc(C)cc(C(F)(F)C(F)(F)F)n2n1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QPJJVKXOVLWHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5N6O/c1-4-27-11(5-6-23-27)9-26(3)15(29)12-8-14-24-10(2)7-13(28(14)25-12)16(18,19)17(20,21)22/h5-8H,4,9H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 416.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).