3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one

C19H26N4O2 — CID 121279502

IUPAC3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3cccc(C(C)C)c3=O)C2)n[nH]1
InChIInChI=1S/C19H26N4O2/c1-12(2)15-6-5-8-23(18(15)24)14-7-9-22(11-14)19(25)17-10-16(13(3)4)20-21-17/h5-6,8,10,12-14H,7,9,11H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyVJTKNXVJUZLUMP-CQSZACIVSA-N
MW342.44 g/mol
LogP2.91
Rot. Bonds4

About 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one

3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one (PubChem CID 121279502) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
PubChem CID121279502
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3cccc(C(C)C)c3=O)C2)n[nH]1
InChIInChI=1S/C19H26N4O2/c1-12(2)15-6-5-8-23(18(15)24)14-7-9-22(11-14)19(25)17-10-16(13(3)4)20-21-17/h5-6,8,10,12-14H,7,9,11H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyVJTKNXVJUZLUMP-CQSZACIVSA-N
XLogP2.91
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 183
CID 121279732
US10022354, Example 168
CID 132070206
5-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 852807
US10022354, Example 27
CID 121279544
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
US10022354, Example 231
CID 121279598
US10022354, Example 172
CID 121279599

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The IUPAC name of 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one (CID 121279502) is 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one is CC(C)c1cc(C(=O)N2CC[C@@H](n3cccc(C(C)C)c3=O)C2)n[nH]1.
What is the InChIKey of 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The InChIKey is VJTKNXVJUZLUMP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)15-6-5-8-23(18(15)24)14-7-9-22(11-14)19(25)17-10-16(13(3)4)20-21-17/h5-6,8,10,12-14H,7,9,11H2,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one is sourced from PubChem (CID 121279502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).