N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H14ClFN4 — CID 46299143

IUPACN-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H14ClFN4/c1-12-9-18(24-16-4-2-3-14(20)10-16)25-19(23-12)17(11-22-25)13-5-7-15(21)8-6-13/h2-11,24H,1H3
InChIKeyNVESQDAVTSUDLU-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.24
Rot. Bonds3

About N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46299143) has the molecular formula C19H14ClFN4 and a molecular weight of 352.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46299143
Molecular FormulaC19H14ClFN4
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC NameN-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H14ClFN4/c1-12-9-18(24-16-4-2-3-14(20)10-16)25-19(23-12)17(11-22-25)13-5-7-15(21)8-6-13/h2-11,24H,1H3
InChIKeyNVESQDAVTSUDLU-UHFFFAOYSA-N
XLogP5.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 46299143) is N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cccc(Cl)c2)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NVESQDAVTSUDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4/c1-12-9-18(24-16-4-2-3-14(20)10-16)25-19(23-12)17(11-22-25)13-5-7-15(21)8-6-13/h2-11,24H,1H3.
What are the key properties of N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.80 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46299143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).