N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide

C15H22N4O2 — CID 53606918

IUPACN-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1=C(N2C(=CC(=O)N2)N=C1C)C
InChIInChI=1S/C15H22N4O2/c1-4-5-6-7-14(20)16-9-12-10(2)17-13-8-15(21)18-19(13)11(12)3/h8H,4-7,9H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyDCTHGDLWHDOZOY-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.10
Rot. Bonds6

About N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide

N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide (PubChem CID 53606918) has the molecular formula C15H22N4O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide
PubChem CID53606918
Molecular FormulaC15H22N4O2
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC NameN-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide
SMILESCCCCCC(=O)NCC1=C(N2C(=CC(=O)N2)N=C1C)C
InChIInChI=1S/C15H22N4O2/c1-4-5-6-7-14(20)16-9-12-10(2)17-13-8-15(21)18-19(13)11(12)3/h8H,4-7,9H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyDCTHGDLWHDOZOY-UHFFFAOYSA-N
XLogP1.10
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity546

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 51100403
CID 51100403
CID 51100466
CID 51100466
CID 51106854
CID 51106854
CID 53544041
CID 53544041
CID 53568961
CID 53568961
CID 53569381
CID 53569381
CID 53570125
CID 53570125
CID 53575374
CID 53575374
CID 177681441
CID 177681441
CID 53545516
CID 53545516
CID 132291563
CID 132291563
CID 132291633
CID 132291633

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide?
The IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide (CID 53606918) is N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide.
What is the SMILES notation for N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide?
The canonical SMILES for N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide is CCCCCC(=O)NCC1=C(N2C(=CC(=O)N2)N=C1C)C.
What is the InChIKey of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide?
The InChIKey is DCTHGDLWHDOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-5-6-7-14(20)16-9-12-10(2)17-13-8-15(21)18-19(13)11(12)3/h8H,4-7,9H2,1-3H3,(H,16,20)(H,18,21).
What are the key properties of N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide?
N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide has a molecular weight of 290.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]hexanamide is sourced from PubChem (CID 53606918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).