N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide

C19H18BrN3O — CID 9185649

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H18BrN3O/c1-13-11-12-21-23(13)18-9-5-16(6-10-18)19(24)22-14(2)15-3-7-17(20)8-4-15/h3-12,14H,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyYYVFZDSMNYQXHQ-CQSZACIVSA-N
MW384.28 g/mol
LogP4.43
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 9185649) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID9185649
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H18BrN3O/c1-13-11-12-21-23(13)18-9-5-16(6-10-18)19(24)22-14(2)15-3-7-17(20)8-4-15/h3-12,14H,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyYYVFZDSMNYQXHQ-CQSZACIVSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 31367915
N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482283
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
CID 24639260
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 47015352
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938193
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8554417

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 9185649) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is YYVFZDSMNYQXHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-13-11-12-21-23(13)18-9-5-16(6-10-18)19(24)22-14(2)15-3-7-17(20)8-4-15/h3-12,14H,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 384.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 9185649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).