2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H18F4N4 — CID 46955698

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCN3Cc3ccccc3F)cc2n1
InChIInChI=1S/C19H18F4N4/c1-12-9-17(19(21,22)23)27-18(24-12)10-15(25-27)16-7-4-8-26(16)11-13-5-2-3-6-14(13)20/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3
InChIKeyQWYWKIOSXTXFNO-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.53
Rot. Bonds3

About 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46955698) has the molecular formula C19H18F4N4 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID46955698
Molecular FormulaC19H18F4N4
Molecular Weight378.37 g/mol
Exact Mass378.15
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCN3Cc3ccccc3F)cc2n1
InChIInChI=1S/C19H18F4N4/c1-12-9-17(19(21,22)23)27-18(24-12)10-15(25-27)16-7-4-8-26(16)11-13-5-2-3-6-14(13)20/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3
InChIKeyQWYWKIOSXTXFNO-UHFFFAOYSA-N
XLogP4.53
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 46955698) is 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(C3CCCN3Cc3ccccc3F)cc2n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QWYWKIOSXTXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4/c1-12-9-17(19(21,22)23)27-18(24-12)10-15(25-27)16-7-4-8-26(16)11-13-5-2-3-6-14(13)20/h2-3,5-6,9-10,16H,4,7-8,11H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 378.37 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46955698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).