1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide

C21H20BrClN4O2 — CID 55895989

IUPAC1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C21H20BrClN4O2/c1-3-10-24-20(28)17-9-6-15(23)11-19(17)26-21(29)18-12-25-27(13(18)2)16-7-4-14(22)5-8-16/h4-9,11-12H,3,10H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyQLHLRYWTPDKRFJ-UHFFFAOYSA-N
MW475.77 g/mol
LogP4.99
Rot. Bonds6

About 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide (PubChem CID 55895989) has the molecular formula C21H20BrClN4O2 and a molecular weight of 475.77 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide
PubChem CID55895989
Molecular FormulaC21H20BrClN4O2
Molecular Weight475.77 g/mol
Exact Mass474.05
IUPAC Name1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C21H20BrClN4O2/c1-3-10-24-20(28)17-9-6-15(23)11-19(17)26-21(29)18-12-25-27(13(18)2)16-7-4-14(22)5-8-16/h4-9,11-12H,3,10H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyQLHLRYWTPDKRFJ-UHFFFAOYSA-N
XLogP4.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.77
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
1-(4-bromophenyl)-5-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]pyrazole-4-carboxamide
CID 71907675
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide
CID 55993625
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 32708087
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide (CID 55895989) is 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is QLHLRYWTPDKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN4O2/c1-3-10-24-20(28)17-9-6-15(23)11-19(17)26-21(29)18-12-25-27(13(18)2)16-7-4-14(22)5-8-16/h4-9,11-12H,3,10H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 475.77 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55895989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).