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

C12H14BrN5O — CID 66125685

IUPAC4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C12H14BrN5O/c1-3-8-10(14)11(18(2)17-8)12(19)16-9-5-4-7(13)6-15-9/h4-6H,3,14H2,1-2H3,(H,15,16,19)
InChIKeyCESOSKXUMXIEMT-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.97
Rot. Bonds3

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

4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66125685) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66125685
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C12H14BrN5O/c1-3-8-10(14)11(18(2)17-8)12(19)16-9-5-4-7(13)6-15-9/h4-6H,3,14H2,1-2H3,(H,15,16,19)
InChIKeyCESOSKXUMXIEMT-UHFFFAOYSA-N
XLogP1.97
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 116812548
4-amino-N-(2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124519
N-(5-bromo-2-pyridinyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4771991
4-amino-3-ethyl-1-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66117820
4-amino-N-(2-bromo-4-cyanophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107796820
4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107802510
4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 66123358
4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66117385
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66125685) is 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2ccc(Br)cn2)c1N.
What is the InChIKey of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is CESOSKXUMXIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-3-8-10(14)11(18(2)17-8)12(19)16-9-5-4-7(13)6-15-9/h4-6H,3,14H2,1-2H3,(H,15,16,19).
What are the key properties of 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66125685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).