[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C19H28N6O2 — CID 5017478

IUPAC[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C19H28N6O2/c1-7-23-15(11-13(2)20-23)18(27)25-10-8-9-24(25)17(26)14-12-16(19(3,4)5)21-22(14)6/h11-12H,7-10H2,1-6H3
InChIKeyZJOQIVRIYJNMLM-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.15
Rot. Bonds3

About [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 5017478) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID5017478
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C19H28N6O2/c1-7-23-15(11-13(2)20-23)18(27)25-10-8-9-24(25)17(26)14-12-16(19(3,4)5)21-22(14)6/h11-12H,7-10H2,1-6H3
InChIKeyZJOQIVRIYJNMLM-UHFFFAOYSA-N
XLogP2.15
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone 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-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 5017478) is [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is ZJOQIVRIYJNMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-7-23-15(11-13(2)20-23)18(27)25-10-8-9-24(25)17(26)14-12-16(19(3,4)5)21-22(14)6/h11-12H,7-10H2,1-6H3.
What are the key properties of [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrazolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 5017478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).