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

C20H16F5N7O3 — CID 19455954

IUPACN-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-methyl-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)Nc3cn(C)nc3C(=O)NCc3ccco3)cc2n1
InChIInChI=1S/C20H16F5N7O3/c1-10-6-14(19(21,22)20(23,24)25)32-15(27-10)7-12(29-32)17(33)28-13-9-31(2)30-16(13)18(34)26-8-11-4-3-5-35-11/h3-7,9H,8H2,1-2H3,(H,26,34)(H,28,33)
InChIKeyYSNGRAISAICSNI-UHFFFAOYSA-N
MW497.38 g/mol
LogP3.20
Rot. Bonds6

About 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

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 (PubChem CID 19455954) has the molecular formula C20H16F5N7O3 and a molecular weight of 497.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19455954
Molecular FormulaC20H16F5N7O3
Molecular Weight497.38 g/mol
Exact Mass497.12
IUPAC NameN-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-methyl-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)Nc3cn(C)nc3C(=O)NCc3ccco3)cc2n1
InChIInChI=1S/C20H16F5N7O3/c1-10-6-14(19(21,22)20(23,24)25)32-15(27-10)7-12(29-32)17(33)28-13-9-31(2)30-16(13)18(34)26-8-11-4-3-5-35-11/h3-7,9H,8H2,1-2H3,(H,26,34)(H,28,33)
InChIKeyYSNGRAISAICSNI-UHFFFAOYSA-N
XLogP3.20
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19400583
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
5-methyl-N-(1-methylpyrazol-3-yl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455941
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
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
4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400558
N-(furan-2-ylmethyl)-1-methyl-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19509229
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464488
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19551876
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021
N-(furan-2-ylmethyl)-1-methyl-4-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19277564

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)Nc3cn(C)nc3C(=O)NCc3ccco3)cc2n1.
What is the InChIKey of 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?
The InChIKey is YSNGRAISAICSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N7O3/c1-10-6-14(19(21,22)20(23,24)25)32-15(27-10)7-12(29-32)17(33)28-13-9-31(2)30-16(13)18(34)26-8-11-4-3-5-35-11/h3-7,9H,8H2,1-2H3,(H,26,34)(H,28,33).
What are the key properties of 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?
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 has a molecular weight of 497.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19455954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).