5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C20H26N4O2 — CID 89476546

IUPAC5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)nn2C(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-4-6-14-7-5-8-15(9-14)17-11-18(23-24(17)13(2)3)22-20(26)16-10-19(25)21-12-16/h5,7-9,11,13,16H,4,6,10,12H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyKJCQVKLYTKGALD-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.16
Rot. Bonds6

About 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476546) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476546
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)nn2C(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-4-6-14-7-5-8-15(9-14)17-11-18(23-24(17)13(2)3)22-20(26)16-10-19(25)21-12-16/h5,7-9,11,13,16H,4,6,10,12H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyKJCQVKLYTKGALD-UHFFFAOYSA-N
XLogP3.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476546) is 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)C3CNC(=O)C3)nn2C(C)C)c1.
What is the InChIKey of 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is KJCQVKLYTKGALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-6-14-7-5-8-15(9-14)17-11-18(23-24(17)13(2)3)22-20(26)16-10-19(25)21-12-16/h5,7-9,11,13,16H,4,6,10,12H2,1-3H3,(H,21,25)(H,22,23,26).
What are the key properties of 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).