4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H14BrN5O — CID 107796820

IUPAC4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc(C#N)cc2Br)c1N
InChIInChI=1S/C14H14BrN5O/c1-3-10-12(17)13(20(2)19-10)14(21)18-11-5-4-8(7-16)6-9(11)15/h4-6H,3,17H2,1-2H3,(H,18,21)
InChIKeyFIHWDYFUERYEES-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.45
Rot. Bonds3

About 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 107796820) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID107796820
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc(C#N)cc2Br)c1N
InChIInChI=1S/C14H14BrN5O/c1-3-10-12(17)13(20(2)19-10)14(21)18-11-5-4-8(7-16)6-9(11)15/h4-6H,3,17H2,1-2H3,(H,18,21)
InChIKeyFIHWDYFUERYEES-UHFFFAOYSA-N
XLogP2.45
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124519
4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-3-bromobenzonitrile
CID 107787194
4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124198
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124523
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 102803235
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
4-amino-3-ethyl-1-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66117820
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66125685
(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66119090
4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 107796820) is 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2ccc(C#N)cc2Br)c1N.
What is the InChIKey of 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is FIHWDYFUERYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c1-3-10-12(17)13(20(2)19-10)14(21)18-11-5-4-8(7-16)6-9(11)15/h4-6H,3,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 107796820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).