6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H33N5O — CID 3393283

IUPAC6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CCCNC(=O)c1cnn2c(C)c(Cc3ccccc3)c(C)nc12)c1cccc(C)c1
InChIInChI=1S/C28H33N5O/c1-5-32(24-14-9-11-20(2)17-24)16-10-15-29-28(34)26-19-30-33-22(4)25(21(3)31-27(26)33)18-23-12-7-6-8-13-23/h6-9,11-14,17,19H,5,10,15-16,18H2,1-4H3,(H,29,34)
InChIKeyBOIJVXAUCUUWNZ-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.89
Rot. Bonds9

About 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3393283) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3393283
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CCCNC(=O)c1cnn2c(C)c(Cc3ccccc3)c(C)nc12)c1cccc(C)c1
InChIInChI=1S/C28H33N5O/c1-5-32(24-14-9-11-20(2)17-24)16-10-15-29-28(34)26-19-30-33-22(4)25(21(3)31-27(26)33)18-23-12-7-6-8-13-23/h6-9,11-14,17,19H,5,10,15-16,18H2,1-4H3,(H,29,34)
InChIKeyBOIJVXAUCUUWNZ-UHFFFAOYSA-N
XLogP4.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.89
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

6-benzyl-N-[2-(dimethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126479422
N-butyl-5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4108374
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4547315
N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771163
5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3393297
6-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4163914
N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5220894
6-[(3-bromophenyl)methyl]-5,7-dimethyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771351
N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805438
N-[(4-fluorophenyl)methyl]-5,7-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4048263
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
CID 20854476

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3393283) is 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CCCNC(=O)c1cnn2c(C)c(Cc3ccccc3)c(C)nc12)c1cccc(C)c1.
What is the InChIKey of 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BOIJVXAUCUUWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-5-32(24-14-9-11-20(2)17-24)16-10-15-29-28(34)26-19-30-33-22(4)25(21(3)31-27(26)33)18-23-12-7-6-8-13-23/h6-9,11-14,17,19H,5,10,15-16,18H2,1-4H3,(H,29,34).
What are the key properties of 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3393283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).