N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide

C24H19ClFN3O2 — CID 46091710

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)[nH]n2)c1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-21(26)20(25)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeySOGZMTWADCHKMV-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.47
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide

N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (PubChem CID 46091710) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
PubChem CID46091710
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)[nH]n2)c1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-21(26)20(25)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeySOGZMTWADCHKMV-UHFFFAOYSA-N
XLogP5.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662989
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 76070677
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
3-(5-chloro-2-methoxyphenyl)-N-[(3-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 49778267
3-(5-chloro-2-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-5-carboxamide
CID 49778709
3-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 49786216
3-(2-chloro-5-methoxyphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 49790124
3-(2-chloro-5-methoxyphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
CID 49790286
N-[(4-fluorophenyl)methyl]-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49790685
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxybenzyl)piperazin-1-yl)methanone
CID 54583959
3-[[4-[[3-(3,5-Dichlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 60170766
5-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 16022625

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (CID 46091710) is N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)[nH]n2)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The InChIKey is SOGZMTWADCHKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-21(26)20(25)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide has a molecular weight of 435.89 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 46091710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).