N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C22H26N4O — CID 38252510

IUPACN-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)N(Cc3ccccc3)C3CC3)c(C)n2n1
InChIInChI=1S/C22H26N4O/c1-15-13-21-23-16(2)20(17(3)26(21)24-15)11-12-22(27)25(19-9-10-19)14-18-7-5-4-6-8-18/h4-8,13,19H,9-12,14H2,1-3H3
InChIKeyDYYPGNMWGVOYAH-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.78
Rot. Bonds6

About N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 38252510) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID38252510
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)N(Cc3ccccc3)C3CC3)c(C)n2n1
InChIInChI=1S/C22H26N4O/c1-15-13-21-23-16(2)20(17(3)26(21)24-15)11-12-22(27)25(19-9-10-19)14-18-7-5-4-6-8-18/h4-8,13,19H,9-12,14H2,1-3H3
InChIKeyDYYPGNMWGVOYAH-UHFFFAOYSA-N
XLogP3.78
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 86925475
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34075902
1-(2-benzylpyrrolidin-1-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46577325
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51200959
N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 32589926
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 9488622
N-[(1S,2R)-2-phenylcyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 95191269
N-ethyl-N-(2-hydroxyethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 78821683
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 55622541
N-(2-hydroxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31617297
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 38199779

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 38252510) is N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)N(Cc3ccccc3)C3CC3)c(C)n2n1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is DYYPGNMWGVOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-13-21-23-16(2)20(17(3)26(21)24-15)11-12-22(27)25(19-9-10-19)14-18-7-5-4-6-8-18/h4-8,13,19H,9-12,14H2,1-3H3.
What are the key properties of N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 38252510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).