4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine

C19H21F3N4O — CID 145286224

IUPAC4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(N)CC(C)COc1ccc(-c2cnn3cccnc23)cc1C(F)(F)F
InChIInChI=1S/C19H21F3N4O/c1-12(8-13(2)23)11-27-17-5-4-14(9-16(17)19(20,21)22)15-10-25-26-7-3-6-24-18(15)26/h3-7,9-10,12-13H,8,11,23H2,1-2H3
InChIKeyDSXJMTOGSFBPSB-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.17
Rot. Bonds6

About 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine

4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine (PubChem CID 145286224) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
PubChem CID145286224
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(N)CC(C)COc1ccc(-c2cnn3cccnc23)cc1C(F)(F)F
InChIInChI=1S/C19H21F3N4O/c1-12(8-13(2)23)11-27-17-5-4-14(9-16(17)19(20,21)22)15-10-25-26-7-3-6-24-18(15)26/h3-7,9-10,12-13H,8,11,23H2,1-2H3
InChIKeyDSXJMTOGSFBPSB-UHFFFAOYSA-N
XLogP4.17
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The IUPAC name of 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine (CID 145286224) is 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine.
What is the SMILES notation for 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The canonical SMILES for 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine is CC(N)CC(C)COc1ccc(-c2cnn3cccnc23)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The InChIKey is DSXJMTOGSFBPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12(8-13(2)23)11-27-17-5-4-14(9-16(17)19(20,21)22)15-10-25-26-7-3-6-24-18(15)26/h3-7,9-10,12-13H,8,11,23H2,1-2H3.
What are the key properties of 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine has a molecular weight of 378.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 145286224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).