N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C22H25N3O — CID 24681023

IUPACN-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCC(CC)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H25N3O/c1-3-19(4-2)24-22(26)21-9-6-5-8-20(21)18-12-10-17(11-13-18)16-25-15-7-14-23-25/h5-15,19H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyLIRMAPHEUNINPB-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.52
Rot. Bonds7

About N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 24681023) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID24681023
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCC(CC)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H25N3O/c1-3-19(4-2)24-22(26)21-9-6-5-8-20(21)18-12-10-17(11-13-18)16-25-15-7-14-23-25/h5-15,19H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyLIRMAPHEUNINPB-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55532036
N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630593
1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 46633048
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55635479
2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984553
N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47090894
N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630570
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39948127

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 24681023) is N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CCC(CC)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is LIRMAPHEUNINPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-19(4-2)24-22(26)21-9-6-5-8-20(21)18-12-10-17(11-13-18)16-25-15-7-14-23-25/h5-15,19H,3-4,16H2,1-2H3,(H,24,26).
What are the key properties of N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 24681023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).