2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H18N4O3 — CID 110214716

IUPAC2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN3C(=O)c3ccco3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H18N4O3/c1-10-11(2)18-15-9-12(19-21(15)16(10)22)13-5-3-7-20(13)17(23)14-6-4-8-24-14/h4,6,8-9,13,19H,3,5,7H2,1-2H3
InChIKeyAMUIULGWECURIK-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.21
Rot. Bonds2

About 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214716) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214716
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN3C(=O)c3ccco3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H18N4O3/c1-10-11(2)18-15-9-12(19-21(15)16(10)22)13-5-3-7-20(13)17(23)14-6-4-8-24-14/h4,6,8-9,13,19H,3,5,7H2,1-2H3
InChIKeyAMUIULGWECURIK-UHFFFAOYSA-N
XLogP2.21
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061527
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123507904
5,6-dimethyl-2-[1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214727
5,6-dimethyl-2-[(2S)-1-[2-(methylamino)benzoyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029804
2-[(2S)-1-(2-aminobenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029868
benzyl 2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 130205460
2-[(2S)-1-(2-amino-6-methylbenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029346
2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214719
5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214720
5,6-dimethyl-2-[1-(oxolane-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216099
2-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110214741
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214716) is 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCN3C(=O)c3ccco3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AMUIULGWECURIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-11(2)18-15-9-12(19-21(15)16(10)22)13-5-3-7-20(13)17(23)14-6-4-8-24-14/h4,6,8-9,13,19H,3,5,7H2,1-2H3.
What are the key properties of 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 326.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).