N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide

C27H20ClN3O — CID 46091788

IUPACN-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C27H20ClN3O/c28-22-14-8-18(9-15-22)17-29-27(32)21-12-10-20(11-13-21)25-16-26(31-30-25)24-7-3-5-19-4-1-2-6-23(19)24/h1-16H,17H2,(H,29,32)(H,30,31)
InChIKeyYXXFDTMLXRHJAV-UHFFFAOYSA-N
MW437.93 g/mol
LogP6.48
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide

N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 46091788) has the molecular formula C27H20ClN3O and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
PubChem CID46091788
Molecular FormulaC27H20ClN3O
Molecular Weight437.93 g/mol
Exact Mass437.13
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C27H20ClN3O/c28-22-14-8-18(9-15-22)17-29-27(32)21-12-10-20(11-13-21)25-16-26(31-30-25)24-7-3-5-19-4-1-2-6-23(19)24/h1-16H,17H2,(H,29,32)(H,30,31)
InChIKeyYXXFDTMLXRHJAV-UHFFFAOYSA-N
XLogP6.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091822
N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091810
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 92819649
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091776
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
N-[(2-chloro-6-methylphenyl)methyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 46091915
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091871
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (CID 46091788) is N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is YXXFDTMLXRHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O/c28-22-14-8-18(9-15-22)17-29-27(32)21-12-10-20(11-13-21)25-16-26(31-30-25)24-7-3-5-19-4-1-2-6-23(19)24/h1-16H,17H2,(H,29,32)(H,30,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 437.93 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 46091788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).