4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one

C15H19N5O2 — CID 137049105

IUPAC4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cnn(CCC(=O)N3CCCC3)c2)n1
InChIInChI=1S/C15H19N5O2/c1-11-8-13(21)18-15(17-11)12-9-16-20(10-12)7-4-14(22)19-5-2-3-6-19/h8-10H,2-7H2,1H3,(H,17,18,21)
InChIKeyQRWNWCOSJZLXMK-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.95
Rot. Bonds4

About 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one

4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one (PubChem CID 137049105) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
PubChem CID137049105
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cnn(CCC(=O)N3CCCC3)c2)n1
InChIInChI=1S/C15H19N5O2/c1-11-8-13(21)18-15(17-11)12-9-16-20(10-12)7-4-14(22)19-5-2-3-6-19/h8-10H,2-7H2,1H3,(H,17,18,21)
InChIKeyQRWNWCOSJZLXMK-UHFFFAOYSA-N
XLogP0.95
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46955822
2-[[1-(4-Methylpyrazol-1-yl)propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53601271
9-Methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56780478
5-[3-(Aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
CID 56898058
2,4-dimethyl-5-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one
CID 136203832
2,4-dimethyl-5-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136203833
5-fluoro-4-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136228853
2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136677134
5-fluoro-4-methyl-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677172
5-fluoro-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136996688
N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 45172141
1-methyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrazole-4-carboxamide
CID 97390446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one (CID 137049105) is 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2cnn(CCC(=O)N3CCCC3)c2)n1.
What is the InChIKey of 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one?
The InChIKey is QRWNWCOSJZLXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-8-13(21)18-15(17-11)12-9-16-20(10-12)7-4-14(22)19-5-2-3-6-19/h8-10H,2-7H2,1H3,(H,17,18,21).
What are the key properties of 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one?
4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one has a molecular weight of 301.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137049105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).