N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H28N4O3 — CID 24771163

IUPACN-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOCCCNC(=O)c1cnn2c(C)c(Cc3cccc(OC)c3)c(C)nc12
InChIInChI=1S/C22H28N4O3/c1-5-29-11-7-10-23-22(27)20-14-24-26-16(3)19(15(2)25-21(20)26)13-17-8-6-9-18(12-17)28-4/h6,8-9,12,14H,5,7,10-11,13H2,1-4H3,(H,23,27)
InChIKeyCMLPYYLGANWAOI-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.10
Rot. Bonds9

About N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24771163) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24771163
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOCCCNC(=O)c1cnn2c(C)c(Cc3cccc(OC)c3)c(C)nc12
InChIInChI=1S/C22H28N4O3/c1-5-29-11-7-10-23-22(27)20-14-24-26-16(3)19(15(2)25-21(20)26)13-17-8-6-9-18(12-17)28-4/h6,8-9,12,14H,5,7,10-11,13H2,1-4H3,(H,23,27)
InChIKeyCMLPYYLGANWAOI-UHFFFAOYSA-N
XLogP3.10
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4163914
6-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4109357
6-[(3-bromophenyl)methyl]-5,7-dimethyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771351
N-butyl-5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4108374
6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3393283
6-benzyl-N-[2-(dimethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126479422
N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5220894
5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3393297
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4547315
6-[(3-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4091282
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24771163) is N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOCCCNC(=O)c1cnn2c(C)c(Cc3cccc(OC)c3)c(C)nc12.
What is the InChIKey of N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CMLPYYLGANWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-5-29-11-7-10-23-22(27)20-14-24-26-16(3)19(15(2)25-21(20)26)13-17-8-6-9-18(12-17)28-4/h6,8-9,12,14H,5,7,10-11,13H2,1-4H3,(H,23,27).
What are the key properties of N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24771163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).