2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H15F3N4O — CID 1006194

IUPAC2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1C#N
InChIInChI=1S/C18H15F3N4O/c1-10(2)26-13-6-4-12(5-7-13)15-8-16(18(19,20)21)25-17(23-15)14(9-22)11(3)24-25/h4-8,10H,1-3H3
InChIKeyHTDFWDZWUYIBKB-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.38
Rot. Bonds3

About 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 1006194) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID1006194
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1C#N
InChIInChI=1S/C18H15F3N4O/c1-10(2)26-13-6-4-12(5-7-13)15-8-16(18(19,20)21)25-17(23-15)14(9-22)11(3)24-25/h4-8,10H,1-3H3
InChIKeyHTDFWDZWUYIBKB-UHFFFAOYSA-N
XLogP4.38
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 1006194) is 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1C#N.
What is the InChIKey of 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HTDFWDZWUYIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-10(2)26-13-6-4-12(5-7-13)15-8-16(18(19,20)21)25-17(23-15)14(9-22)11(3)24-25/h4-8,10H,1-3H3.
What are the key properties of 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 360.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 1006194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).