2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C19H27N5O2 — CID 137049247

IUPAC2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C)(C)C3)c2CC(C)C)n1
InChIInChI=1S/C19H27N5O2/c1-12(2)8-15-14(17(26)23-7-6-19(4,5)11-23)10-20-24(15)18-21-13(3)9-16(25)22-18/h9-10,12H,6-8,11H2,1-5H3,(H,21,22,25)
InChIKeyNOXHKAWGPPZWGR-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.33
Rot. Bonds4

About 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049247) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049247
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C)(C)C3)c2CC(C)C)n1
InChIInChI=1S/C19H27N5O2/c1-12(2)8-15-14(17(26)23-7-6-19(4,5)11-23)10-20-24(15)18-21-13(3)9-16(25)22-18/h9-10,12H,6-8,11H2,1-5H3,(H,21,22,25)
InChIKeyNOXHKAWGPPZWGR-UHFFFAOYSA-N
XLogP2.33
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049247) is 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C)(C)C3)c2CC(C)C)n1.
What is the InChIKey of 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NOXHKAWGPPZWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12(2)8-15-14(17(26)23-7-6-19(4,5)11-23)10-20-24(15)18-21-13(3)9-16(25)22-18/h9-10,12H,6-8,11H2,1-5H3,(H,21,22,25).
What are the key properties of 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 357.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylpyrrolidine-1-carbonyl)-5-(2-methylpropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).