2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

C25H28N4O3 — CID 121279668

IUPAC2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OCc3ccccc3)C2)n[nH]1
InChIInChI=1S/C25H28N4O3/c1-17(2)21-14-22(28-27-21)25(31)29-13-12-19(15-29)26-24(30)20-10-6-7-11-23(20)32-16-18-8-4-3-5-9-18/h3-11,14,17,19H,12-13,15-16H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyGNKWHNDSTHCFPB-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.76
Rot. Bonds7

About 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279668) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279668
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OCc3ccccc3)C2)n[nH]1
InChIInChI=1S/C25H28N4O3/c1-17(2)21-14-22(28-27-21)25(31)29-13-12-19(15-29)26-24(30)20-10-6-7-11-23(20)32-16-18-8-4-3-5-9-18/h3-11,14,17,19H,12-13,15-16H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyGNKWHNDSTHCFPB-UHFFFAOYSA-N
XLogP3.76
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279668) is 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OCc3ccccc3)C2)n[nH]1.
What is the InChIKey of 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is GNKWHNDSTHCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(2)21-14-22(28-27-21)25(31)29-13-12-19(15-29)26-24(30)20-10-6-7-11-23(20)32-16-18-8-4-3-5-9-18/h3-11,14,17,19H,12-13,15-16H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).