N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

C17H13BrClN3O — CID 24629396

IUPACN-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Br)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13BrClN3O/c1-11-16(17(23)21-14-4-2-3-12(18)9-14)10-20-22(11)15-7-5-13(19)6-8-15/h2-10H,1H3,(H,21,23)
InChIKeyZTECZSQPUJWQTD-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.85
Rot. Bonds3

About N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 24629396) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID24629396
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC NameN-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Br)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13BrClN3O/c1-11-16(17(23)21-14-4-2-3-12(18)9-14)10-20-22(11)15-7-5-13(19)6-8-15/h2-10H,1H3,(H,21,23)
InChIKeyZTECZSQPUJWQTD-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60614952
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-bromophenyl)-N-(2-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 31777513
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
CID 2738780
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 46562409
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
CID 2776128
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide (CID 24629396) is N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(Br)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is ZTECZSQPUJWQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c1-11-16(17(23)21-14-4-2-3-12(18)9-14)10-20-22(11)15-7-5-13(19)6-8-15/h2-10H,1H3,(H,21,23).
What are the key properties of N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 390.67 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 24629396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).