3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H14ClN3O — CID 4912540

IUPAC3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c1-12-18(14-7-9-15(20)10-8-14)19-21-16(11-17(24)23(19)22-12)13-5-3-2-4-6-13/h2-11,22H,1H3
InChIKeyQMVSXNGQKIFBMG-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.32
Rot. Bonds2

About 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 4912540) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID4912540
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c1-12-18(14-7-9-15(20)10-8-14)19-21-16(11-17(24)23(19)22-12)13-5-3-2-4-6-13/h2-11,22H,1H3
InChIKeyQMVSXNGQKIFBMG-UHFFFAOYSA-N
XLogP4.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 4912540) is 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QMVSXNGQKIFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-18(14-7-9-15(20)10-8-14)19-21-16(11-17(24)23(19)22-12)13-5-3-2-4-6-13/h2-11,22H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 335.79 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 4912540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).