N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H28N8O — CID 19589197

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1cc2nc(-c3ccnn3C)cc(-c3ccnn3C)n2n1)C1CC2CCC1C2
InChIInChI=1S/C24H28N8O/c1-14(17-11-15-4-5-16(17)10-15)27-24(33)19-13-23-28-18(20-6-8-25-30(20)2)12-22(32(23)29-19)21-7-9-26-31(21)3/h6-9,12-17H,4-5,10-11H2,1-3H3,(H,27,33)
InChIKeyPHABGVIWGRXERN-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.08
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19589197) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19589197
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1cc2nc(-c3ccnn3C)cc(-c3ccnn3C)n2n1)C1CC2CCC1C2
InChIInChI=1S/C24H28N8O/c1-14(17-11-15-4-5-16(17)10-15)27-24(33)19-13-23-28-18(20-6-8-25-30(20)2)12-22(32(23)29-19)21-7-9-26-31(21)3/h6-9,12-17H,4-5,10-11H2,1-3H3,(H,27,33)
InChIKeyPHABGVIWGRXERN-UHFFFAOYSA-N
XLogP3.08
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98174779
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98338279
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 124893332
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98331341
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 19582703
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 98272059
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98331279
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide
CID 103186992

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19589197) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(NC(=O)c1cc2nc(-c3ccnn3C)cc(-c3ccnn3C)n2n1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PHABGVIWGRXERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-14(17-11-15-4-5-16(17)10-15)27-24(33)19-13-23-28-18(20-6-8-25-30(20)2)12-22(32(23)29-19)21-7-9-26-31(21)3/h6-9,12-17H,4-5,10-11H2,1-3H3,(H,27,33).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,7-bis(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19589197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).