N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide

C20H20BrN3O — CID 55396911

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H20BrN3O/c1-2-18(16-6-4-3-5-7-16)20(25)23-19-12-13-22-24(19)14-15-8-10-17(21)11-9-15/h3-13,18H,2,14H2,1H3,(H,23,25)
InChIKeyOATFFVGTBWJXPZ-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.83
Rot. Bonds6

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide (PubChem CID 55396911) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
PubChem CID55396911
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H20BrN3O/c1-2-18(16-6-4-3-5-7-16)20(25)23-19-12-13-22-24(19)14-15-8-10-17(21)11-9-15/h3-13,18H,2,14H2,1H3,(H,23,25)
InChIKeyOATFFVGTBWJXPZ-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650
(2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide
CID 92773520
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 45155158
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide (CID 55396911) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide is CCC(C(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide?
The InChIKey is OATFFVGTBWJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-2-18(16-6-4-3-5-7-16)20(25)23-19-12-13-22-24(19)14-15-8-10-17(21)11-9-15/h3-13,18H,2,14H2,1H3,(H,23,25).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide has a molecular weight of 398.30 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide is sourced from PubChem (CID 55396911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).