3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H13BrClF3N6O — CID 19441160

IUPAC3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3c(Cl)cnn3C)c(Br)c2n1
InChIInChI=1S/C15H13BrClF3N6O/c1-7-4-10(15(18,19)20)26-13(22-7)11(16)12(23-26)14(27)24(2)6-9-8(17)5-21-25(9)3/h4-5H,6H2,1-3H3
InChIKeyKGQNQMZWWGFBLZ-UHFFFAOYSA-N
MW465.66 g/mol
LogP3.48
Rot. Bonds3

About 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441160) has the molecular formula C15H13BrClF3N6O and a molecular weight of 465.66 g/mol. Its IUPAC name is 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441160
Molecular FormulaC15H13BrClF3N6O
Molecular Weight465.66 g/mol
Exact Mass464.00
IUPAC Name3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3c(Cl)cnn3C)c(Br)c2n1
InChIInChI=1S/C15H13BrClF3N6O/c1-7-4-10(15(18,19)20)26-13(22-7)11(16)12(23-26)14(27)24(2)6-9-8(17)5-21-25(9)3/h4-5H,6H2,1-3H3
InChIKeyKGQNQMZWWGFBLZ-UHFFFAOYSA-N
XLogP3.48
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441150
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440917
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-chloro-5-(3-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441180
N-benzyl-3-bromo-N-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4520457
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
3-bromo-N-(2-hydroxyphenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462348
N-benzyl-3-bromo-N-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4224666
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17023519
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-methylacetamide
CID 19503956
3-bromo-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464176
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278224
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19460602

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441160) is 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)N(C)Cc3c(Cl)cnn3C)c(Br)c2n1.
What is the InChIKey of 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KGQNQMZWWGFBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF3N6O/c1-7-4-10(15(18,19)20)26-13(22-7)11(16)12(23-26)14(27)24(2)6-9-8(17)5-21-25(9)3/h4-5H,6H2,1-3H3.
What are the key properties of 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 465.66 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).