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

C18H24N4O2 — CID 121279693

IUPAC3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
SMILESCCc1cccn([C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1=O
InChIInChI=1S/C18H24N4O2/c1-4-13-6-5-8-22(17(13)23)14-7-9-21(11-14)18(24)16-10-15(12(2)3)19-20-16/h5-6,8,10,12,14H,4,7,9,11H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyGEFVOERIMAPFCN-CQSZACIVSA-N
MW328.42 g/mol
LogP2.34
Rot. Bonds4

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

3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one (PubChem CID 121279693) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
PubChem CID121279693
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one
SMILESCCc1cccn([C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1=O
InChIInChI=1S/C18H24N4O2/c1-4-13-6-5-8-22(17(13)23)14-7-9-21(11-14)18(24)16-10-15(12(2)3)19-20-16/h5-6,8,10,12,14H,4,7,9,11H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyGEFVOERIMAPFCN-CQSZACIVSA-N
XLogP2.34
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The IUPAC name of 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one (CID 121279693) is 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The canonical SMILES for 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one is CCc1cccn([C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1=O.
What is the InChIKey of 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
The InChIKey is GEFVOERIMAPFCN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-13-6-5-8-22(17(13)23)14-7-9-21(11-14)18(24)16-10-15(12(2)3)19-20-16/h5-6,8,10,12,14H,4,7,9,11H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one?
3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridin-2-one is sourced from PubChem (CID 121279693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).