3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C15H11ClF3N3O — CID 1472840

IUPAC3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1
InChIInChI=1S/C15H11ClF3N3O/c1-8-13(16)14-20-10(9-5-3-4-6-11(9)23-2)7-12(15(17,18)19)22(14)21-8/h3-7H,1-2H3
InChIKeyWWCDDLSFJOOZTL-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.39
Rot. Bonds2

About 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1472840) has the molecular formula C15H11ClF3N3O and a molecular weight of 341.72 g/mol. Its IUPAC name is 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1472840
Molecular FormulaC15H11ClF3N3O
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC Name3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1
InChIInChI=1S/C15H11ClF3N3O/c1-8-13(16)14-20-10(9-5-3-4-6-11(9)23-2)7-12(15(17,18)19)22(14)21-8/h3-7H,1-2H3
InChIKeyWWCDDLSFJOOZTL-UHFFFAOYSA-N
XLogP4.39
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4774619
3-chloro-5-(1-ethyl-5-methylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4774399
(4-chlorophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 20894848
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
3-chloro-7-[chloro(difluoro)methyl]-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774269
3-(3,4-dimethoxyphenyl)-2-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 22332914
3-bromo-5-(3,4-dichlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 19580450
[(2S)-1-ethoxy-1-oxopropan-2-yl] 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 92736060
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372
5-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522146
4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
CID 17025751
6-(2-methoxyphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769157

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1472840) is 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1.
What is the InChIKey of 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WWCDDLSFJOOZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O/c1-8-13(16)14-20-10(9-5-3-4-6-11(9)23-2)7-12(15(17,18)19)22(14)21-8/h3-7H,1-2H3.
What are the key properties of 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 341.72 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1472840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).