N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

C14H22N4O3 — CID 20928944

IUPACN-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCOCCNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C14H22N4O3/c1-11-10-13-17(14(20)5-8-18(13)16-11)7-3-4-12(19)15-6-9-21-2/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyFJPYQBMVXPYDPY-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.47
Rot. Bonds7

About N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928944) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928944
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCOCCNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C14H22N4O3/c1-11-10-13-17(14(20)5-8-18(13)16-11)7-3-4-12(19)15-6-9-21-2/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyFJPYQBMVXPYDPY-UHFFFAOYSA-N
XLogP0.47
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.47
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

2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 45821224
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 46282409
2-(2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-4-yl)acetic acid
CID 20887728
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928950
N-(3-Ethoxypropyl)-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928953
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928954
N-(3-methoxypropyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928955

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928944) is N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is COCCNC(=O)CCCN1C(=O)CCn2nc(C)cc21.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is FJPYQBMVXPYDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-10-13-17(14(20)5-8-18(13)16-11)7-3-4-12(19)15-6-9-21-2/h10H,3-9H2,1-2H3,(H,15,19).
What are the key properties of N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 294.36 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).