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

C17H22N4O2 — CID 121279697

IUPAC3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
SMILESCc1cccn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1=O
InChIInChI=1S/C17H22N4O2/c1-11(2)14-9-15(19-18-14)17(23)20-8-6-13(10-20)21-7-4-5-12(3)16(21)22/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,18,19)
InChIKeyRGJCGGRMPCGWKX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds3

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

3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one (PubChem CID 121279697) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
PubChem CID121279697
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
SMILESCc1cccn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1=O
InChIInChI=1S/C17H22N4O2/c1-11(2)14-9-15(19-18-14)17(23)20-8-6-13(10-20)21-7-4-5-12(3)16(21)22/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,18,19)
InChIKeyRGJCGGRMPCGWKX-UHFFFAOYSA-N
XLogP2.09
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
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-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one (CID 121279697) is 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one is Cc1cccn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1=O.
What is the InChIKey of 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The InChIKey is RGJCGGRMPCGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)14-9-15(19-18-14)17(23)20-8-6-13(10-20)21-7-4-5-12(3)16(21)22/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one is sourced from PubChem (CID 121279697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).