4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

C21H23N3O — CID 110717254

IUPAC4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-15-20(16(2)24(3)23-15)13-14-22-21(25)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyMVIKAAKXJZLGFO-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.68
Rot. Bonds5

About 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 110717254) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID110717254
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-15-20(16(2)24(3)23-15)13-14-22-21(25)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyMVIKAAKXJZLGFO-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 110717254) is 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is Cc1nn(C)c(C)c1CCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is MVIKAAKXJZLGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-20(16(2)24(3)23-15)13-14-22-21(25)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 333.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110717254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).