1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C21H20BrN3O — CID 55521841

IUPAC1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H20BrN3O/c1-24(14-16-13-23-25(15-16)19-5-3-2-4-6-19)20(26)21(11-12-21)17-7-9-18(22)10-8-17/h2-10,13,15H,11-12,14H2,1H3
InChIKeyXOLLXECZYGLLND-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 55521841) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID55521841
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC Name1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H20BrN3O/c1-24(14-16-13-23-25(15-16)19-5-3-2-4-6-19)20(26)21(11-12-21)17-7-9-18(22)10-8-17/h2-10,13,15H,11-12,14H2,1H3
InChIKeyXOLLXECZYGLLND-UHFFFAOYSA-N
XLogP4.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 31853188
(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
6-bromo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 55559294
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55521666
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166202

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 55521841) is 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is XOLLXECZYGLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O/c1-24(14-16-13-23-25(15-16)19-5-3-2-4-6-19)20(26)21(11-12-21)17-7-9-18(22)10-8-17/h2-10,13,15H,11-12,14H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 410.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55521841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).