4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide

C13H14BrFN4O — CID 65358559

IUPAC4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN4O/c1-2-19-12(11(16)7-18-19)13(20)17-6-8-5-9(15)3-4-10(8)14/h3-5,7H,2,6,16H2,1H3,(H,17,20)
InChIKeyUUCGYHYAZADGLY-UHFFFAOYSA-N
MW341.18 g/mol
LogP2.32
Rot. Bonds4

About 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide

4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 65358559) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
PubChem CID65358559
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN4O/c1-2-19-12(11(16)7-18-19)13(20)17-6-8-5-9(15)3-4-10(8)14/h3-5,7H,2,6,16H2,1H3,(H,17,20)
InChIKeyUUCGYHYAZADGLY-UHFFFAOYSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-5-carboxamide
CID 114954354
4-amino-N-(2-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357625
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65358766
4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 19620425
4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 81262492
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524304
4-amino-1-ethyl-N-(1,2-oxazol-3-ylmethyl)pyrazole-5-carboxamide
CID 81170060
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
CID 63978201
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62954591

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide (CID 65358559) is 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is UUCGYHYAZADGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-2-19-12(11(16)7-18-19)13(20)17-6-8-5-9(15)3-4-10(8)14/h3-5,7H,2,6,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide?
4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 341.18 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65358559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).