5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

C15H13Cl2N3 — CID 104621648

IUPAC5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C15H13Cl2N3/c1-9(2)11-8-12-18-14(16)13(15(17)20(12)19-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyKXIJYMLIRNMFGW-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.83
Rot. Bonds2

About 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 104621648) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID104621648
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C15H13Cl2N3/c1-9(2)11-8-12-18-14(16)13(15(17)20(12)19-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyKXIJYMLIRNMFGW-UHFFFAOYSA-N
XLogP4.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621638
7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
CID 82274571
5,7-dichloro-6-phenyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630670
5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
5,7-dichloro-6-phenylpyrazolo[1,5-a]pyrimidine
CID 59427807
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621661
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 113433308
5-chloro-2-phenylpyrazolo[1,5-a]quinazoline
CID 73334175
ethane;2,4,6-trichloro-3-phenylpyridine
CID 91101159
2,3,4-triphenyl-6-propan-2-ylpyridine
CID 134840610
2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271650

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 104621648) is 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cc2nc(Cl)c(-c3ccccc3)c(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KXIJYMLIRNMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-9(2)11-8-12-18-14(16)13(15(17)20(12)19-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 306.20 g/mol, XLogP of 4.83, 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-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).