7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C19H16ClN3 — CID 15516976

IUPAC7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccccc1)=N2
InChIInChI=1S/C19H16ClN3/c1-13-11-19-21-17(14-5-3-2-4-6-14)12-18(23(19)22-13)15-7-9-16(20)10-8-15/h2-11,18H,12H2,1H3
InChIKeyMSJOXTOGWIHXFV-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.96
Rot. Bonds2

About 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 15516976) has the molecular formula C19H16ClN3 and a molecular weight of 321.81 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID15516976
Molecular FormulaC19H16ClN3
Molecular Weight321.81 g/mol
Exact Mass321.10
IUPAC Name7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccccc1)=N2
InChIInChI=1S/C19H16ClN3/c1-13-11-19-21-17(14-5-3-2-4-6-14)12-18(23(19)22-13)15-7-9-16(20)10-8-15/h2-11,18H,12H2,1H3
InChIKeyMSJOXTOGWIHXFV-UHFFFAOYSA-N
XLogP4.96
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 15516976) is 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccccc1)=N2.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MSJOXTOGWIHXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3/c1-13-11-19-21-17(14-5-3-2-4-6-14)12-18(23(19)22-13)15-7-9-16(20)10-8-15/h2-11,18H,12H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 321.81 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15516976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).