4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide

C12H12BrClN4O — CID 107618406

IUPAC4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(Br)c(Cl)c2)c1N
InChIInChI=1S/C12H12BrClN4O/c1-6-10(15)11(18(2)17-6)12(19)16-7-3-4-8(13)9(14)5-7/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyNVRAAOGQZVZNJE-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.98
Rot. Bonds2

About 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 107618406) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID107618406
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC Name4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(Br)c(Cl)c2)c1N
InChIInChI=1S/C12H12BrClN4O/c1-6-10(15)11(18(2)17-6)12(19)16-7-3-4-8(13)9(14)5-7/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyNVRAAOGQZVZNJE-UHFFFAOYSA-N
XLogP2.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 115375824
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79734496
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 107618406) is 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ccc(Br)c(Cl)c2)c1N.
What is the InChIKey of 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is NVRAAOGQZVZNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c1-6-10(15)11(18(2)17-6)12(19)16-7-3-4-8(13)9(14)5-7/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 343.61 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 107618406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).