4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide

C28H23N3O — CID 92819649

IUPAC4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C28H23N3O/c1-19(20-8-3-2-4-9-20)29-28(32)23-16-14-22(15-17-23)26-18-27(31-30-26)25-13-7-11-21-10-5-6-12-24(21)25/h2-19H,1H3,(H,29,32)(H,30,31)/t19-/m0/s1
InChIKeyIVBLVNCDKNTWFH-IBGZPJMESA-N
MW417.51 g/mol
LogP6.39
Rot. Bonds5

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

4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 92819649) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID92819649
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C28H23N3O/c1-19(20-8-3-2-4-9-20)29-28(32)23-16-14-22(15-17-23)26-18-27(31-30-26)25-13-7-11-21-10-5-6-12-24(21)25/h2-19H,1H3,(H,29,32)(H,30,31)/t19-/m0/s1
InChIKeyIVBLVNCDKNTWFH-IBGZPJMESA-N
XLogP6.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 93017305
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-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091810
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide
CID 46091856
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-(1H-benzimidazol-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 100577391
N-[(2S)-4-phenylbutan-2-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92772919

Frequently Asked Questions

What is the IUPAC name of 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide (CID 92819649) is 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(-c2cc(-c3cccc4ccccc34)[nH]n2)cc1)c1ccccc1.
What is the InChIKey of 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is IVBLVNCDKNTWFH-IBGZPJMESA-N. The full InChI is InChI=1S/C28H23N3O/c1-19(20-8-3-2-4-9-20)29-28(32)23-16-14-22(15-17-23)26-18-27(31-30-26)25-13-7-11-21-10-5-6-12-24(21)25/h2-19H,1H3,(H,29,32)(H,30,31)/t19-/m0/s1.
What are the key properties of 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide?
4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 92819649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).