2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

C12H13BrF3N5O — CID 19575978

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2cnn(CC(F)(F)F)c2)cc1Br
InChIInChI=1S/C12H13BrF3N5O/c1-7-10(13)5-21(19-7)8(2)11(22)18-9-3-17-20(4-9)6-12(14,15)16/h3-5,8H,6H2,1-2H3,(H,18,22)
InChIKeyKKHGAYLZZAWXJH-UHFFFAOYSA-N
MW380.17 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (PubChem CID 19575978) has the molecular formula C12H13BrF3N5O and a molecular weight of 380.17 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
PubChem CID19575978
Molecular FormulaC12H13BrF3N5O
Molecular Weight380.17 g/mol
Exact Mass379.03
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
SMILESCc1nn(C(C)C(=O)Nc2cnn(CC(F)(F)F)c2)cc1Br
InChIInChI=1S/C12H13BrF3N5O/c1-7-10(13)5-21(19-7)8(2)11(22)18-9-3-17-20(4-9)6-12(14,15)16/h3-5,8H,6H2,1-2H3,(H,18,22)
InChIKeyKKHGAYLZZAWXJH-UHFFFAOYSA-N
XLogP2.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]propanamide
CID 17020970
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]propanamide
CID 17023016
4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4770013
4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770919
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 4771577
2-(5-methyl-1H-pyrazol-1-yl)-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}acetamide
CID 19584509
3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine
CID 178129000
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 4769180
4-[2-[4-Bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 4769504
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 4769807
4-[[2-[4-Bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770070
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)propanamide
CID 4770131

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide (CID 19575978) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is Cc1nn(C(C)C(=O)Nc2cnn(CC(F)(F)F)c2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
The InChIKey is KKHGAYLZZAWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N5O/c1-7-10(13)5-21(19-7)8(2)11(22)18-9-3-17-20(4-9)6-12(14,15)16/h3-5,8H,6H2,1-2H3,(H,18,22).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide has a molecular weight of 380.17 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19575978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).