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

C15H13BrClF3N6O — CID 19333212

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2nn3c(C(F)(F)F)cc(C)nc3c2Cl)n1
InChIInChI=1S/C15H13BrClF3N6O/c1-3-25-6-8(16)9(23-25)5-21-14(27)12-11(17)13-22-7(2)4-10(15(18,19)20)26(13)24-12/h4,6H,3,5H2,1-2H3,(H,21,27)
InChIKeyOUHNVNSISFAUNY-UHFFFAOYSA-N
MW465.66 g/mol
LogP3.62
Rot. Bonds4

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

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19333212) has the molecular formula C15H13BrClF3N6O and a molecular weight of 465.66 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19333212
Molecular FormulaC15H13BrClF3N6O
Molecular Weight465.66 g/mol
Exact Mass464.00
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2nn3c(C(F)(F)F)cc(C)nc3c2Cl)n1
InChIInChI=1S/C15H13BrClF3N6O/c1-3-25-6-8(16)9(23-25)5-21-14(27)12-11(17)13-22-7(2)4-10(15(18,19)20)26(13)24-12/h4,6H,3,5H2,1-2H3,(H,21,27)
InChIKeyOUHNVNSISFAUNY-UHFFFAOYSA-N
XLogP3.62
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404435
3-chloro-N-(4-ethoxyphenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451523
3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19327823
N-[1-(4-butan-2-ylphenyl)propyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451559
3-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19410433
ethyl 5-[[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19451648
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451479
3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451652
3-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19337237
3-chloro-5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451562
3-chloro-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19394126
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19333252

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19333212) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Br)c(CNC(=O)c2nn3c(C(F)(F)F)cc(C)nc3c2Cl)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OUHNVNSISFAUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF3N6O/c1-3-25-6-8(16)9(23-25)5-21-14(27)12-11(17)13-22-7(2)4-10(15(18,19)20)26(13)24-12/h4,6H,3,5H2,1-2H3,(H,21,27).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 465.66 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19333212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).