N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C18H24N6O2 — CID 74241193

IUPACN-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(C)n2nc(C)cc2n1
InChIInChI=1S/C18H24N6O2/c1-6-23(10-15-20-17(26-22-15)7-11(2)3)18(25)14-9-13(5)24-16(19-14)8-12(4)21-24/h8-9,11H,6-7,10H2,1-5H3
InChIKeyJTWKVHUIVMTTRF-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 74241193) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID74241193
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(C)n2nc(C)cc2n1
InChIInChI=1S/C18H24N6O2/c1-6-23(10-15-20-17(26-22-15)7-11(2)3)18(25)14-9-13(5)24-16(19-14)8-12(4)21-24/h8-9,11H,6-7,10H2,1-5H3
InChIKeyJTWKVHUIVMTTRF-UHFFFAOYSA-N
XLogP2.59
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 74241193) is N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(C)n2nc(C)cc2n1.
What is the InChIKey of N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is JTWKVHUIVMTTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-6-23(10-15-20-17(26-22-15)7-11(2)3)18(25)14-9-13(5)24-16(19-14)8-12(4)21-24/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,7-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 74241193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).