5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20N6O2 — CID 155058609

IUPAC5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NCC=O)cnn12
InChIInChI=1S/C18H20N6O2/c1-11-6-12(2)8-13(7-11)22-15-9-16(19-3)24-17(23-15)14(10-21-24)18(26)20-4-5-25/h5-10,19H,4H2,1-3H3,(H,20,26)(H,22,23)
InChIKeyOQOZJUHIYNBRSS-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.06
Rot. Bonds6

About 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155058609) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155058609
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NCC=O)cnn12
InChIInChI=1S/C18H20N6O2/c1-11-6-12(2)8-13(7-11)22-15-9-16(19-3)24-17(23-15)14(10-21-24)18(26)20-4-5-25/h5-10,19H,4H2,1-3H3,(H,20,26)(H,22,23)
InChIKeyOQOZJUHIYNBRSS-UHFFFAOYSA-N
XLogP2.06
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-7-(methylamino)-5-[(6-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154933737
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-fluoropropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678698
N-(2,2-dimethylbutyl)-5-(2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 165004932
5-[(5-fluoro-1-methyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678760
N-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678692
5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449798
N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457779
N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450221
5-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678781
5-[[(E)-1-amino-3-[4-(methylamino)-1-oxobutan-2-yl]iminoprop-1-en-2-yl]amino]-7-(methylamino)-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678673
5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 165107314
N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678708

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155058609) is 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NCC=O)cnn12.
What is the InChIKey of 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OQOZJUHIYNBRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-6-12(2)8-13(7-11)22-15-9-16(19-3)24-17(23-15)14(10-21-24)18(26)20-4-5-25/h5-10,19H,4H2,1-3H3,(H,20,26)(H,22,23).
What are the key properties of 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylanilino)-7-(methylamino)-N-(2-oxoethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155058609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).