5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

C15H12Cl2FN3 — CID 104621638

IUPAC5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc2nc(Cl)c(-c3cccc(F)c3)c(Cl)n2n1
InChIInChI=1S/C15H12Cl2FN3/c1-8(2)11-7-12-19-14(16)13(15(17)21(12)20-11)9-4-3-5-10(18)6-9/h3-8H,1-2H3
InChIKeyYUTFNHUNOLNSDE-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.97
Rot. Bonds2

About 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 104621638) has the molecular formula C15H12Cl2FN3 and a molecular weight of 324.19 g/mol. Its IUPAC name is 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID104621638
Molecular FormulaC15H12Cl2FN3
Molecular Weight324.19 g/mol
Exact Mass323.04
IUPAC Name5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc2nc(Cl)c(-c3cccc(F)c3)c(Cl)n2n1
InChIInChI=1S/C15H12Cl2FN3/c1-8(2)11-7-12-19-14(16)13(15(17)21(12)20-11)9-4-3-5-10(18)6-9/h3-8H,1-2H3
InChIKeyYUTFNHUNOLNSDE-UHFFFAOYSA-N
XLogP4.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621648
5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630670
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methoxypropyl)pyrimidine
CID 116706640
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
methyl 4,6-dichloro-5-(3-fluorophenyl)pyrimidine-2-carboxylate
CID 79440276
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 113433308
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine
CID 79431922
7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
CID 82274571
2-chloro-11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 18524600
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693
1-(5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidin-2-yl)-N-methylpropan-1-amine
CID 167383207

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 104621638) is 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cc2nc(Cl)c(-c3cccc(F)c3)c(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YUTFNHUNOLNSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3/c1-8(2)11-7-12-19-14(16)13(15(17)21(12)20-11)9-4-3-5-10(18)6-9/h3-8H,1-2H3.
What are the key properties of 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 324.19 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).