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

C24H19F2N3O2 — CID 46091676

IUPACN-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(F)c4)cc3)[nH]n2)c1
InChIInChI=1S/C24H19F2N3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-20(25)21(26)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyZWMUHGIUCBZFJR-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.96
Rot. Bonds6

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

N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (PubChem CID 46091676) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
PubChem CID46091676
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(F)c4)cc3)[nH]n2)c1
InChIInChI=1S/C24H19F2N3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-20(25)21(26)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyZWMUHGIUCBZFJR-UHFFFAOYSA-N
XLogP4.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
N-[(4-methoxyphenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 46091627
N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091810
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[(3,4-difluorophenyl)methyl]-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 91633968
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 22260912
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135900117

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (CID 46091676) is N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(F)c4)cc3)[nH]n2)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The InChIKey is ZWMUHGIUCBZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-20(25)21(26)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide has a molecular weight of 419.43 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 46091676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).