4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

C12H10BrF3N4O — CID 65355175

IUPAC4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C12H10BrF3N4O/c1-20-5-8(17)10(19-20)11(21)18-9-3-2-6(13)4-7(9)12(14,15)16/h2-5H,17H2,1H3,(H,18,21)
InChIKeyMRFZGVYWOUZSIY-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.04
Rot. Bonds2

About 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 65355175) has the molecular formula C12H10BrF3N4O and a molecular weight of 363.14 g/mol. Its IUPAC name is 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID65355175
Molecular FormulaC12H10BrF3N4O
Molecular Weight363.14 g/mol
Exact Mass362.00
IUPAC Name4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)n1
InChIInChI=1S/C12H10BrF3N4O/c1-20-5-8(17)10(19-20)11(21)18-9-3-2-6(13)4-7(9)12(14,15)16/h2-5H,17H2,1H3,(H,18,21)
InChIKeyMRFZGVYWOUZSIY-UHFFFAOYSA-N
XLogP3.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 66481317
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788227
4-amino-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354485
N-(4-bromo-2-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008385
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 116698676
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
CID 60790791
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (CID 65355175) is 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)n1.
What is the InChIKey of 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MRFZGVYWOUZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4O/c1-20-5-8(17)10(19-20)11(21)18-9-3-2-6(13)4-7(9)12(14,15)16/h2-5H,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 363.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).