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

C27H19F2N3O — CID 46091810

IUPACN-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C27H19F2N3O/c28-23-13-8-17(14-24(23)29)16-30-27(33)20-11-9-19(10-12-20)25-15-26(32-31-25)22-7-3-5-18-4-1-2-6-21(18)22/h1-15H,16H2,(H,30,33)(H,31,32)
InChIKeyMDRCTGROPBWBBV-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.11
Rot. Bonds5

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

N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 46091810) has the molecular formula C27H19F2N3O and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
PubChem CID46091810
Molecular FormulaC27H19F2N3O
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C27H19F2N3O/c28-23-13-8-17(14-24(23)29)16-30-27(33)20-11-9-19(10-12-20)25-15-26(32-31-25)22-7-3-5-18-4-1-2-6-21(18)22/h1-15H,16H2,(H,30,33)(H,31,32)
InChIKeyMDRCTGROPBWBBV-UHFFFAOYSA-N
XLogP6.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091788
N-[(3-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091822
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
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-(pyridin-4-ylmethyl)benzamide
CID 46109252
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (CID 46091810) is N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is MDRCTGROPBWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O/c28-23-13-8-17(14-24(23)29)16-30-27(33)20-11-9-19(10-12-20)25-15-26(32-31-25)22-7-3-5-18-4-1-2-6-21(18)22/h1-15H,16H2,(H,30,33)(H,31,32).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 439.47 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 46091810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).