N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C17H22N4O2 — CID 53601966

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NCC3CCC=CC3
InChIInChI=1S/C17H22N4O2/c1-11-14(12(2)21-15(19-11)9-17(23)20-21)8-16(22)18-10-13-6-4-3-5-7-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyJRIUWKSJHJNTFA-UHFFFAOYSA-N
MW314.40 g/mol
LogP1.10
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 53601966) has the molecular formula C17H22N4O2 and a molecular weight of 314.40 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID53601966
Molecular FormulaC17H22N4O2
Molecular Weight314.40 g/mol
Exact Mass314.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NCC3CCC=CC3
InChIInChI=1S/C17H22N4O2/c1-11-14(12(2)21-15(19-11)9-17(23)20-21)8-16(22)18-10-13-6-4-3-5-7-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyJRIUWKSJHJNTFA-UHFFFAOYSA-N
XLogP1.10
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity658

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N,N-diethylpropanamide
CID 51100403
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-ethylpropanamide
CID 51100466
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methylpentyl)propanamide
CID 53544041
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-(3-methylbutyl)propanamide
CID 53569381
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 53570125
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 53575374
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]propanamide
CID 132291563
5,7-dimethyl-6-[3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 132295514
1-(difluoromethyl)-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclopentane-1-carboxamide
CID 132297707
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[6-(trifluoromethyl)cyclohex-3-en-1-yl]acetamide
CID 132300580
trans-(1R,2R)-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 132300729
5,7-dimethyl-6-[3-oxo-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 132344409

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 53601966) is N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is CC1=C(C(=NC2=CC(=O)NN12)C)CC(=O)NCC3CCC=CC3.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is JRIUWKSJHJNTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-14(12(2)21-15(19-11)9-17(23)20-21)8-16(22)18-10-13-6-4-3-5-7-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,22)(H,20,23).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 314.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 53601966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).