5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H14N4O2 — CID 110485770

IUPAC5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CCCC3)c2n1
InChIInChI=1S/C12H14N4O2/c1-8-6-10(17)16-11(14-8)9(7-13-16)12(18)15-4-2-3-5-15/h6-7,13H,2-5H2,1H3
InChIKeyVXLDWEHFGSBOBK-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.57
Rot. Bonds1

About 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110485770) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110485770
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CCCC3)c2n1
InChIInChI=1S/C12H14N4O2/c1-8-6-10(17)16-11(14-8)9(7-13-16)12(18)15-4-2-3-5-15/h6-7,13H,2-5H2,1H3
InChIKeyVXLDWEHFGSBOBK-UHFFFAOYSA-N
XLogP0.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4134667
7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485760
3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167746403
N-cyclohexyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734509
N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 121371083
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 121371102
N,N-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122388272
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 129034354
N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 134314264
5-Propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 160994135
N,N-dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide
CID 175044445
3-(azepane-1-carbonyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 50926753

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110485770) is 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(C(=O)N3CCCC3)c2n1.
What is the InChIKey of 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VXLDWEHFGSBOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-6-10(17)16-11(14-8)9(7-13-16)12(18)15-4-2-3-5-15/h6-7,13H,2-5H2,1H3.
What are the key properties of 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 246.27 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110485770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).