(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone

C21H23N5O3 — CID 3367250

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C21H23N5O3/c1-4-24-18(12-14(2)23-24)21(28)26-11-7-10-25(26)20(27)17-13-19(29-3)15-8-5-6-9-16(15)22-17/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3
InChIKeyFZKZYXOWAIZERK-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.67
Rot. Bonds4

About (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3367250) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
PubChem CID3367250
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1
InChIInChI=1S/C21H23N5O3/c1-4-24-18(12-14(2)23-24)21(28)26-11-7-10-25(26)20(27)17-13-19(29-3)15-8-5-6-9-16(15)22-17/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3
InChIKeyFZKZYXOWAIZERK-UHFFFAOYSA-N
XLogP2.67
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone (CID 3367250) is (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone is CCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cc(OC)c2ccccc2n1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is FZKZYXOWAIZERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-4-24-18(12-14(2)23-24)21(28)26-11-7-10-25(26)20(27)17-13-19(29-3)15-8-5-6-9-16(15)22-17/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 393.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3367250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).