3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide

C15H19BrF3N5O — CID 1000446

IUPAC3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1c(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C)cnn1C
InChIInChI=1S/C15H19BrF3N5O/c1-9-11(7-20-23(9)4)8-22(3)12(25)5-6-24-10(2)13(16)14(21-24)15(17,18)19/h7H,5-6,8H2,1-4H3
InChIKeySOKSBCCNRJJYRM-UHFFFAOYSA-N
MW422.25 g/mol
LogP3.06
Rot. Bonds5

About 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 1000446) has the molecular formula C15H19BrF3N5O and a molecular weight of 422.25 g/mol. Its IUPAC name is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID1000446
Molecular FormulaC15H19BrF3N5O
Molecular Weight422.25 g/mol
Exact Mass421.07
IUPAC Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1c(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C)cnn1C
InChIInChI=1S/C15H19BrF3N5O/c1-9-11(7-20-23(9)4)8-22(3)12(25)5-6-24-10(2)13(16)14(21-24)15(17,18)19/h7H,5-6,8H2,1-4H3
InChIKeySOKSBCCNRJJYRM-UHFFFAOYSA-N
XLogP3.06
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 1000446) is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide is Cc1c(CN(C)C(=O)CCn2nc(C(F)(F)F)c(Br)c2C)cnn1C.
What is the InChIKey of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is SOKSBCCNRJJYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N5O/c1-9-11(7-20-23(9)4)8-22(3)12(25)5-6-24-10(2)13(16)14(21-24)15(17,18)19/h7H,5-6,8H2,1-4H3.
What are the key properties of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide?
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 422.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 1000446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).