N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C27H27N3O2 — CID 55532036

IUPACN-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCC(NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C27H27N3O2/c1-3-26(22-13-15-23(32-2)16-14-22)29-27(31)25-8-5-4-7-24(25)21-11-9-20(10-12-21)19-30-18-6-17-28-30/h4-18,26H,3,19H2,1-2H3,(H,29,31)
InChIKeyUIINAPKHOCFCDN-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.49
Rot. Bonds8

About N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55532036) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55532036
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCC(NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C27H27N3O2/c1-3-26(22-13-15-23(32-2)16-14-22)29-27(31)25-8-5-4-7-24(25)21-11-9-20(10-12-21)19-30-18-6-17-28-30/h4-18,26H,3,19H2,1-2H3,(H,29,31)
InChIKeyUIINAPKHOCFCDN-UHFFFAOYSA-N
XLogP5.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 134030712
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55635479
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 97310627
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55532036) is N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CCC(NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is UIINAPKHOCFCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-3-26(22-13-15-23(32-2)16-14-22)29-27(31)25-8-5-4-7-24(25)21-11-9-20(10-12-21)19-30-18-6-17-28-30/h4-18,26H,3,19H2,1-2H3,(H,29,31).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55532036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).