4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide

C14H16BrF3N6O2 — CID 4770919

IUPAC4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)c(C(N)=O)n1
InChIInChI=1S/C14H16BrF3N6O2/c1-4-23-5-8(10(21-23)12(19)25)20-13(26)7(3)24-6(2)9(15)11(22-24)14(16,17)18/h5,7H,4H2,1-3H3,(H2,19,25)(H,20,26)
InChIKeyPXJGOUQSRFCTDI-UHFFFAOYSA-N
MW437.22 g/mol
LogP2.49
Rot. Bonds5

About 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide

4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4770919) has the molecular formula C14H16BrF3N6O2 and a molecular weight of 437.22 g/mol. Its IUPAC name is 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide
PubChem CID4770919
Molecular FormulaC14H16BrF3N6O2
Molecular Weight437.22 g/mol
Exact Mass436.05
IUPAC Name4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)c(C(N)=O)n1
InChIInChI=1S/C14H16BrF3N6O2/c1-4-23-5-8(10(21-23)12(19)25)20-13(26)7(3)24-6(2)9(15)11(22-24)14(16,17)18/h5,7H,4H2,1-3H3,(H2,19,25)(H,20,26)
InChIKeyPXJGOUQSRFCTDI-UHFFFAOYSA-N
XLogP2.49
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(1-methyl-4-nitro-1H-pyrazol-3-yl)methanone
CID 699655
1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19398390
4-{[3-(4-bromo-1H-pyrazol-1-yl)propanoyl]amino}-1-methyl-1H-pyrazole-5-carboxamide
CID 4768465
4-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1-methyl-1H-pyrazole-3-carboxamide
CID 4771958
4-amino-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 7017546
N-cyclopentyl-4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17025340
1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide
CID 164642337
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4767849
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767870
N-[5-(aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768107
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4768135

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide (CID 4770919) is 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)c(C(N)=O)n1.
What is the InChIKey of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is PXJGOUQSRFCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N6O2/c1-4-23-5-8(10(21-23)12(19)25)20-13(26)7(3)24-6(2)9(15)11(22-24)14(16,17)18/h5,7H,4H2,1-3H3,(H2,19,25)(H,20,26).
What are the key properties of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide?
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 437.22 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 4770919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).