N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C26H19BrN4O — CID 19473310

IUPACN-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)c3cccnc23)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C26H19BrN4O/c1-17-23(26(32)29-22-15-14-21(27)20-13-8-16-28-25(20)22)24(18-9-4-2-5-10-18)30-31(17)19-11-6-3-7-12-19/h2-16H,1H3,(H,29,32)
InChIKeyBTYPNMYLZLHXEI-UHFFFAOYSA-N
MW483.37 g/mol
LogP6.41
Rot. Bonds4

About N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473310) has the molecular formula C26H19BrN4O and a molecular weight of 483.37 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473310
Molecular FormulaC26H19BrN4O
Molecular Weight483.37 g/mol
Exact Mass482.07
IUPAC NameN-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)c3cccnc23)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C26H19BrN4O/c1-17-23(26(32)29-22-15-14-21(27)20-13-8-16-28-25(20)22)24(18-9-4-2-5-10-18)30-31(17)19-11-6-3-7-12-19/h2-16H,1H3,(H,29,32)
InChIKeyBTYPNMYLZLHXEI-UHFFFAOYSA-N
XLogP6.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-(5-bromoquinolin-8-yl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280667
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
N-(5-bromoquinolin-8-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266397
N-(5-bromoquinolin-8-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474197
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473310) is N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Br)c3cccnc23)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is BTYPNMYLZLHXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN4O/c1-17-23(26(32)29-22-15-14-21(27)20-13-8-16-28-25(20)22)24(18-9-4-2-5-10-18)30-31(17)19-11-6-3-7-12-19/h2-16H,1H3,(H,29,32).
What are the key properties of N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 483.37 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).