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

C15H24N4O2 — CID 20928958

IUPACN-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCCCNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C15H24N4O2/c1-3-4-8-16-13(20)6-5-9-18-14-11-12(2)17-19(14)10-7-15(18)21/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyDPNFPEJZELFVOH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.62
Rot. Bonds7

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

N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928958) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928958
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCCCNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C15H24N4O2/c1-3-4-8-16-13(20)6-5-9-18-14-11-12(2)17-19(14)10-7-15(18)21/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyDPNFPEJZELFVOH-UHFFFAOYSA-N
XLogP1.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
3-butyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135481129
3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135540428
2-Piperidinone, 3-amino-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 56828034
N-(2,5-Dimethylpyrazol-3-YL)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042
3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135423459
Cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methylamino]piperidin-1-yl]methanone
CID 136196595
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 46282409
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-oxopiperazin-1-yl)acetamide
CID 90256814
2-(2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-4-yl)acetic acid
CID 20887728
2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5,7-dione
CID 136264587

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928958) is N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is CCCCNC(=O)CCCN1C(=O)CCn2nc(C)cc21.
What is the InChIKey of N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is DPNFPEJZELFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-8-16-13(20)6-5-9-18-14-11-12(2)17-19(14)10-7-15(18)21/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).