5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H24N4O2 — CID 121327325

IUPAC5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCCOc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C20H24N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,25)
InChIKeyFXEUTZLMRZAGRU-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.17
Rot. Bonds7

About 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121327325) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121327325
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCCOc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C20H24N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,25)
InChIKeyFXEUTZLMRZAGRU-UHFFFAOYSA-N
XLogP4.17
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1H-imidazol-2-yl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327402
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
5,7-dimethyl-N-[2-[(5-methyl-3-pyridinyl)oxy]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155153499
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 47494468
2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide
CID 83577781
5,7-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327439
5,7-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39985596
ethyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19440794
N-(4-ethoxyphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823208
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-pentoxybenzamide
CID 122287620
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121327325) is 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCCOc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1.
What is the InChIKey of 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FXEUTZLMRZAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-5-6-11-26-17-9-7-16(8-10-17)23-20(25)18-13-21-24-15(3)12-14(2)22-19(18)24/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,25).
What are the key properties of 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121327325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).