2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide

C22H23N3O — CID 91779095

IUPAC2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C22H23N3O/c26-21(23-16-22(11-12-22)17-25-14-4-13-24-25)15-18-7-9-20(10-8-18)19-5-2-1-3-6-19/h1-10,13-14H,11-12,15-17H2,(H,23,26)
InChIKeyFZFPFMZPTPKNES-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.69
Rot. Bonds7

About 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide

2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide (PubChem CID 91779095) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
PubChem CID91779095
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C22H23N3O/c26-21(23-16-22(11-12-22)17-25-14-4-13-24-25)15-18-7-9-20(10-8-18)19-5-2-1-3-6-19/h1-10,13-14H,11-12,15-17H2,(H,23,26)
InChIKeyFZFPFMZPTPKNES-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide (CID 91779095) is 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCC1(Cn2cccn2)CC1.
What is the InChIKey of 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The InChIKey is FZFPFMZPTPKNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-21(23-16-22(11-12-22)17-25-14-4-13-24-25)15-18-7-9-20(10-8-18)19-5-2-1-3-6-19/h1-10,13-14H,11-12,15-17H2,(H,23,26).
What are the key properties of 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 91779095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).