N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H19F3N4 — CID 8741365

IUPACN-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](C)Nc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12
InChIInChI=1S/C18H19F3N4/c1-4-11(2)22-14-10-12(3)23-17-15(13-8-6-5-7-9-13)16(18(19,20)21)24-25(14)17/h5-11,22H,4H2,1-3H3/t11-/m1/s1
InChIKeyNQNHFKMPWRHYTD-LLVKDONJSA-N
MW348.37 g/mol
LogP4.93
Rot. Bonds4

About N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 8741365) has the molecular formula C18H19F3N4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID8741365
Molecular FormulaC18H19F3N4
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC NameN-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](C)Nc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12
InChIInChI=1S/C18H19F3N4/c1-4-11(2)22-14-10-12(3)23-17-15(13-8-6-5-7-9-13)16(18(19,20)21)24-25(14)17/h5-11,22H,4H2,1-3H3/t11-/m1/s1
InChIKeyNQNHFKMPWRHYTD-LLVKDONJSA-N
XLogP4.93
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 8741365) is N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC[C@@H](C)Nc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NQNHFKMPWRHYTD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F3N4/c1-4-11(2)22-14-10-12(3)23-17-15(13-8-6-5-7-9-13)16(18(19,20)21)24-25(14)17/h5-11,22H,4H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.37 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 8741365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).