N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide

C22H20BrN5O — CID 55776558

IUPACN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C22H20BrN5O/c23-19-6-4-5-17(13-19)15-28-21(11-12-24-28)26-22(29)10-9-18-14-25-27(16-18)20-7-2-1-3-8-20/h1-8,11-14,16H,9-10,15H2,(H,26,29)
InChIKeyLLYZLIGNWKNPQG-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.45
Rot. Bonds7

About N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 55776558) has the molecular formula C22H20BrN5O and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID55776558
Molecular FormulaC22H20BrN5O
Molecular Weight450.34 g/mol
Exact Mass449.09
IUPAC NameN-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C22H20BrN5O/c23-19-6-4-5-17(13-19)15-28-21(11-12-24-28)26-22(29)10-9-18-14-25-27(16-18)20-7-2-1-3-8-20/h1-8,11-14,16H,9-10,15H2,(H,26,29)
InChIKeyLLYZLIGNWKNPQG-UHFFFAOYSA-N
XLogP4.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide
CID 155948531
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112845525
1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 75433893
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119732827
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 55776337
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55776817
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55776655
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55776652

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 55776558) is N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccnn1Cc1cccc(Br)c1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is LLYZLIGNWKNPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O/c23-19-6-4-5-17(13-19)15-28-21(11-12-24-28)26-22(29)10-9-18-14-25-27(16-18)20-7-2-1-3-8-20/h1-8,11-14,16H,9-10,15H2,(H,26,29).
What are the key properties of N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 450.34 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55776558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).