4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide

C11H9BrF2N4O — CID 107608683

IUPAC4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cc(F)c(Br)cc2F)c1N
InChIInChI=1S/C11H9BrF2N4O/c1-4-9(15)10(18-17-4)11(19)16-8-3-6(13)5(12)2-7(8)14/h2-3H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyGNDZRKMANJQZLT-UHFFFAOYSA-N
MW331.12 g/mol
LogP2.59
Rot. Bonds2

About 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 107608683) has the molecular formula C11H9BrF2N4O and a molecular weight of 331.12 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID107608683
Molecular FormulaC11H9BrF2N4O
Molecular Weight331.12 g/mol
Exact Mass329.99
IUPAC Name4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cc(F)c(Br)cc2F)c1N
InChIInChI=1S/C11H9BrF2N4O/c1-4-9(15)10(18-17-4)11(19)16-8-3-6(13)5(12)2-7(8)14/h2-3H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyGNDZRKMANJQZLT-UHFFFAOYSA-N
XLogP2.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62081034
4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 107796934
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
4-amino-N-(3-bromo-4-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104775377
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
4-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081401
4-amino-5-methyl-N-naphthalen-1-yl-1H-pyrazole-3-carboxamide
CID 62082084
2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide
CID 107608664
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 107608683) is 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cc(F)c(Br)cc2F)c1N.
What is the InChIKey of 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is GNDZRKMANJQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N4O/c1-4-9(15)10(18-17-4)11(19)16-8-3-6(13)5(12)2-7(8)14/h2-3H,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 331.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107608683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).