6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H21N3O — CID 6462251

IUPAC6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1c(C)nc2c(-c3ccccc3)c(C)[nH]n2c1=O
InChIInChI=1S/C18H21N3O/c1-4-5-11-15-12(2)19-17-16(14-9-7-6-8-10-14)13(3)20-21(17)18(15)22/h6-10,20H,4-5,11H2,1-3H3
InChIKeyRQDYGZVRQZFXDU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.65
Rot. Bonds4

About 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 6462251) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID6462251
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCc1c(C)nc2c(-c3ccccc3)c(C)[nH]n2c1=O
InChIInChI=1S/C18H21N3O/c1-4-5-11-15-12(2)19-17-16(14-9-7-6-8-10-14)13(3)20-21(17)18(15)22/h6-10,20H,4-5,11H2,1-3H3
InChIKeyRQDYGZVRQZFXDU-UHFFFAOYSA-N
XLogP3.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 6462251) is 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCCc1c(C)nc2c(-c3ccccc3)c(C)[nH]n2c1=O.
What is the InChIKey of 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RQDYGZVRQZFXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-5-11-15-12(2)19-17-16(14-9-7-6-8-10-14)13(3)20-21(17)18(15)22/h6-10,20H,4-5,11H2,1-3H3.
What are the key properties of 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 295.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6462251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).