N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide

C21H23N3O2 — CID 154687757

IUPACN-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide
SMILESCCCOc1nn(Cc2ccccc2)cc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O2/c1-3-12-26-21-20(18-10-7-11-19(13-18)22-16(2)25)15-24(23-21)14-17-8-5-4-6-9-17/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,25)
InChIKeyFVDJSUCFIGUEBC-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.35
Rot. Bonds7

About N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide

N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide (PubChem CID 154687757) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide
PubChem CID154687757
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide
SMILESCCCOc1nn(Cc2ccccc2)cc1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H23N3O2/c1-3-12-26-21-20(18-10-7-11-19(13-18)22-16(2)25)15-24(23-21)14-17-8-5-4-6-9-17/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,25)
InChIKeyFVDJSUCFIGUEBC-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide (CID 154687757) is N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide is CCCOc1nn(Cc2ccccc2)cc1-c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide?
The InChIKey is FVDJSUCFIGUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-12-26-21-20(18-10-7-11-19(13-18)22-16(2)25)15-24(23-21)14-17-8-5-4-6-9-17/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide?
N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzyl-3-propoxypyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 154687757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).