4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide

C14H16BrN3O — CID 892389

IUPAC4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H16BrN3O/c1-4-18-13(12(15)8-16-18)14(19)17-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyGYUVVLFDXOVSJM-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide

4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 892389) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID892389
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H16BrN3O/c1-4-18-13(12(15)8-16-18)14(19)17-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyGYUVVLFDXOVSJM-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
4-bromo-1-ethyl-N-(3-nitrophenyl)pyrazole-5-carboxamide
CID 35522789
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 35529894
4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 35522845
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19476759
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 4518276
4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-ethylpyrazole-5-carboxamide
CID 19579461

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide (CID 892389) is 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is GYUVVLFDXOVSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-18-13(12(15)8-16-18)14(19)17-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H,17,19).
What are the key properties of 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide?
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 892389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).