2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one

C17H23N5O2 — CID 137049228

IUPAC2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2c(C)nn(CCC(=O)N3CCCC3)c2C)n1
InChIInChI=1S/C17H23N5O2/c1-11-10-14(23)19-17(18-11)16-12(2)20-22(13(16)3)9-6-15(24)21-7-4-5-8-21/h10H,4-9H2,1-3H3,(H,18,19,23)
InChIKeyNBXHCZWRQDYIJK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.57
Rot. Bonds4

About 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one

2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049228) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049228
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2c(C)nn(CCC(=O)N3CCCC3)c2C)n1
InChIInChI=1S/C17H23N5O2/c1-11-10-14(23)19-17(18-11)16-12(2)20-22(13(16)3)9-6-15(24)21-7-4-5-8-21/h10H,4-9H2,1-3H3,(H,18,19,23)
InChIKeyNBXHCZWRQDYIJK-UHFFFAOYSA-N
XLogP1.57
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049227
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72884537
5-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136203834
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70770761
3-(2-{isopropyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}ethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 91835895
N~1~-allyl-N~3~-isopropyl-N~3~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-beta-alaninamide
CID 91841529
4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136762292
6-[(1-Tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862114
2-(Trifluoromethyl)-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862434
5-fluoro-4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136238500
1-(2,2-difluoroethyl)-3,5-dimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 167944324
6-{[butyl(methyl)amino]methyl}-2-hydroxy-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]nicotinamide
CID 42324912

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049228) is 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2c(C)nn(CCC(=O)N3CCCC3)c2C)n1.
What is the InChIKey of 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NBXHCZWRQDYIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-10-14(23)19-17(18-11)16-12(2)20-22(13(16)3)9-6-15(24)21-7-4-5-8-21/h10H,4-9H2,1-3H3,(H,18,19,23).
What are the key properties of 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one?
2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 329.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).