N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H21F3N4 — CID 51613132

IUPACN-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn12
InChIInChI=1S/C19H21F3N4/c1-5-12(3)23-15-10-13(4)24-18-16(14-8-6-11(2)7-9-14)17(19(20,21)22)25-26(15)18/h6-10,12,23H,5H2,1-4H3/t12-/m1/s1
InChIKeyIPMGUIWLJLUNGN-GFCCVEGCSA-N
MW362.40 g/mol
LogP5.24
Rot. Bonds4

About N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51613132) has the molecular formula C19H21F3N4 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID51613132
Molecular FormulaC19H21F3N4
Molecular Weight362.40 g/mol
Exact Mass362.17
IUPAC NameN-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn12
InChIInChI=1S/C19H21F3N4/c1-5-12(3)23-15-10-13(4)24-18-16(14-8-6-11(2)7-9-14)17(19(20,21)22)25-26(15)18/h6-10,12,23H,5H2,1-4H3/t12-/m1/s1
InChIKeyIPMGUIWLJLUNGN-GFCCVEGCSA-N
XLogP5.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 8741365
N-butyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299225
5-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956472
N-[4-[[3-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide
CID 46299166
N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51970925
3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
3-(4-fluorophenyl)-5-methyl-7-pyrrolidin-1-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46299173
5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 7632813
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895223
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4905434
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895239
5-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 7597694

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 51613132) is N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC[C@@H](C)Nc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn12.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IPMGUIWLJLUNGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21F3N4/c1-5-12(3)23-15-10-13(4)24-18-16(14-8-6-11(2)7-9-14)17(19(20,21)22)25-26(15)18/h6-10,12,23H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(2R)-butan-2-yl]-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.40 g/mol, XLogP of 5.24, 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-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51613132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).