2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H16ClF3N4 — CID 122619985

IUPAC2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H](C)C(F)(F)F)n2nc(Cc3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C17H16ClF3N4/c1-10-7-15(23-11(2)17(19,20)21)25-16(22-10)9-14(24-25)8-12-3-5-13(18)6-4-12/h3-7,9,11,23H,8H2,1-2H3/t11-/m0/s1
InChIKeyRFSATIBJEWBZET-NSHDSACASA-N
MW368.79 g/mol
LogP4.64
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122619985) has the molecular formula C17H16ClF3N4 and a molecular weight of 368.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122619985
Molecular FormulaC17H16ClF3N4
Molecular Weight368.79 g/mol
Exact Mass368.10
IUPAC Name2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H](C)C(F)(F)F)n2nc(Cc3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C17H16ClF3N4/c1-10-7-15(23-11(2)17(19,20)21)25-16(22-10)9-14(24-25)8-12-3-5-13(18)6-4-12/h3-7,9,11,23H,8H2,1-2H3/t11-/m0/s1
InChIKeyRFSATIBJEWBZET-NSHDSACASA-N
XLogP4.64
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 122619985) is 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N[C@@H](C)C(F)(F)F)n2nc(Cc3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RFSATIBJEWBZET-NSHDSACASA-N. The full InChI is InChI=1S/C17H16ClF3N4/c1-10-7-15(23-11(2)17(19,20)21)25-16(22-10)9-14(24-25)8-12-3-5-13(18)6-4-12/h3-7,9,11,23H,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 368.79 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122619985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).