N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide

C29H25N3O2 — CID 46091971

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4cccc5ccccc45)[nH]n3)cc2)c1
InChIInChI=1S/C29H25N3O2/c1-19(23-9-5-10-24(17-23)34-2)30-29(33)22-15-13-21(14-16-22)27-18-28(32-31-27)26-12-6-8-20-7-3-4-11-25(20)26/h3-19H,1-2H3,(H,30,33)(H,31,32)/t19-/m1/s1
InChIKeyBDPRXOVDPHACST-LJQANCHMSA-N
MW447.54 g/mol
LogP6.40
Rot. Bonds6

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 46091971) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
PubChem CID46091971
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4cccc5ccccc45)[nH]n3)cc2)c1
InChIInChI=1S/C29H25N3O2/c1-19(23-9-5-10-24(17-23)34-2)30-29(33)22-15-13-21(14-16-22)27-18-28(32-31-27)26-12-6-8-20-7-3-4-11-25(20)26/h3-19H,1-2H3,(H,30,33)(H,31,32)/t19-/m1/s1
InChIKeyBDPRXOVDPHACST-LJQANCHMSA-N
XLogP6.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 92819649
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92773087
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
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
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 118662917

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide (CID 46091971) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4cccc5ccccc45)[nH]n3)cc2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is BDPRXOVDPHACST-LJQANCHMSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-19(23-9-5-10-24(17-23)34-2)30-29(33)22-15-13-21(14-16-22)27-18-28(32-31-27)26-12-6-8-20-7-3-4-11-25(20)26/h3-19H,1-2H3,(H,30,33)(H,31,32)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 447.54 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 46091971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).