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

C25H22BrN3O2 — CID 92773087

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)[nH]n2)c1
InChIInChI=1S/C25H22BrN3O2/c1-16(17-10-12-21(26)13-11-17)27-25(30)19-8-6-18(7-9-19)23-15-24(29-28-23)20-4-3-5-22(14-20)31-2/h3-16H,1-2H3,(H,27,30)(H,28,29)/t16-/m1/s1
InChIKeyYQQLQAAWLCEHEI-MRXNPFEDSA-N
MW476.37 g/mol
LogP6.01
Rot. Bonds6

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

N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (PubChem CID 92773087) has the molecular formula C25H22BrN3O2 and a molecular weight of 476.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
PubChem CID92773087
Molecular FormulaC25H22BrN3O2
Molecular Weight476.37 g/mol
Exact Mass475.09
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)[nH]n2)c1
InChIInChI=1S/C25H22BrN3O2/c1-16(17-10-12-21(26)13-11-17)27-25(30)19-8-6-18(7-9-19)23-15-24(29-28-23)20-4-3-5-22(14-20)31-2/h3-16H,1-2H3,(H,27,30)(H,28,29)/t16-/m1/s1
InChIKeyYQQLQAAWLCEHEI-MRXNPFEDSA-N
XLogP6.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 93017305
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 92819649
N-[1-(4-bromophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46698092
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (CID 92773087) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)[nH]n2)c1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The InChIKey is YQQLQAAWLCEHEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H22BrN3O2/c1-16(17-10-12-21(26)13-11-17)27-25(30)19-8-6-18(7-9-19)23-15-24(29-28-23)20-4-3-5-22(14-20)31-2/h3-16H,1-2H3,(H,27,30)(H,28,29)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide has a molecular weight of 476.37 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 92773087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).