[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C18H18N4O2 — CID 70784094

IUPAC[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)n[nH]2)o1
InChIInChI=1S/C18H18N4O2/c1-12-6-7-17(24-12)14-10-15(21-20-14)18(23)22-9-3-5-16(22)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,20,21)
InChIKeyMGALODYELKOOHO-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.35
Rot. Bonds3

About [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 70784094) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID70784094
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)n[nH]2)o1
InChIInChI=1S/C18H18N4O2/c1-12-6-7-17(24-12)14-10-15(21-20-14)18(23)22-9-3-5-16(22)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,20,21)
InChIKeyMGALODYELKOOHO-UHFFFAOYSA-N
XLogP3.35
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-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 [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 70784094) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCCC3c3cccnc3)n[nH]2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is MGALODYELKOOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-7-17(24-12)14-10-15(21-20-14)18(23)22-9-3-5-16(22)13-4-2-8-19-11-13/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,20,21).
What are the key properties of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 70784094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).