1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide

C21H17BrN4O — CID 137375543

IUPAC1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2Br)c(C)c1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C21H17BrN4O/c1-13-20(14(2)26(25-13)18-10-6-4-8-16(18)22)21(27)24-19-12-11-15-7-3-5-9-17(15)23-19/h3-12H,1-2H3,(H,23,24,27)
InChIKeyUOZBAHUMDUOUGE-UHFFFAOYSA-N
MW421.30 g/mol
LogP5.05
Rot. Bonds3

About 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375543) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375543
Molecular FormulaC21H17BrN4O
Molecular Weight421.30 g/mol
Exact Mass420.06
IUPAC Name1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2Br)c(C)c1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C21H17BrN4O/c1-13-20(14(2)26(25-13)18-10-6-4-8-16(18)22)21(27)24-19-12-11-15-7-3-5-9-17(15)23-19/h3-12H,1-2H3,(H,23,24,27)
InChIKeyUOZBAHUMDUOUGE-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.30
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
1-(2-Bromophenyl)-5-methyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375527
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375507
1-(2-bromo-6-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375508
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515
5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375516
1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375523
1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375530
N-(6-bromoquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 137375531
1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375532
5-Methyl-1-phenyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375534

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375543) is 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2Br)c(C)c1C(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is UOZBAHUMDUOUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-13-20(14(2)26(25-13)18-10-6-4-8-16(18)22)21(27)24-19-12-11-15-7-3-5-9-17(15)23-19/h3-12H,1-2H3,(H,23,24,27).
What are the key properties of 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).