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

C13H14BrF3N6O2 — CID 4770013

IUPAC4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H14BrF3N6O2/c1-5-8(14)10(13(15,16)17)21-23(5)6(2)12(25)20-7-4-19-22(3)9(7)11(18)24/h4,6H,1-3H3,(H2,18,24)(H,20,25)
InChIKeyRKBDHMBONIJXOD-UHFFFAOYSA-N
MW423.19 g/mol
LogP2.00
Rot. Bonds4

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

4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 4770013) has the molecular formula C13H14BrF3N6O2 and a molecular weight of 423.19 g/mol. Its IUPAC name is 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID4770013
Molecular FormulaC13H14BrF3N6O2
Molecular Weight423.19 g/mol
Exact Mass422.03
IUPAC Name4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H14BrF3N6O2/c1-5-8(14)10(13(15,16)17)21-23(5)6(2)12(25)20-7-4-19-22(3)9(7)11(18)24/h4,6H,1-3H3,(H2,18,24)(H,20,25)
InChIKeyRKBDHMBONIJXOD-UHFFFAOYSA-N
XLogP2.00
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.19
LogP ≤ 52.00
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
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
4-{[3-(4-bromo-1H-pyrazol-1-yl)propanoyl]amino}-1-methyl-1H-pyrazole-5-carboxamide
CID 4768465
1-methyl-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 703689
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(1-methyl-1H-pyrazol-5-yl)methanone
CID 777552
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide (CID 4770013) is 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide is Cc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(N)=O.
What is the InChIKey of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is RKBDHMBONIJXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N6O2/c1-5-8(14)10(13(15,16)17)21-23(5)6(2)12(25)20-7-4-19-22(3)9(7)11(18)24/h4,6H,1-3H3,(H2,18,24)(H,20,25).
What are the key properties of 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide?
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 423.19 g/mol, XLogP of 2.00, 4 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-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4770013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).