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

C18H17N3O — CID 164628982

IUPAC3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(C3=CCCC3)c2n1
InChIInChI=1S/C18H17N3O/c1-12-11-15(22)21-18(19-12)16(13-7-5-6-8-13)17(20-21)14-9-3-2-4-10-14/h2-4,7,9-11,20H,5-6,8H2,1H3
InChIKeyDUOUBBJJDPILRI-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.57
Rot. Bonds2

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

3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 164628982) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID164628982
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(C3=CCCC3)c2n1
InChIInChI=1S/C18H17N3O/c1-12-11-15(22)21-18(19-12)16(13-7-5-6-8-13)17(20-21)14-9-3-2-4-10-14/h2-4,7,9-11,20H,5-6,8H2,1H3
InChIKeyDUOUBBJJDPILRI-UHFFFAOYSA-N
XLogP3.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 164628982) is 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccccc3)c(C3=CCCC3)c2n1.
What is the InChIKey of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DUOUBBJJDPILRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-11-15(22)21-18(19-12)16(13-7-5-6-8-13)17(20-21)14-9-3-2-4-10-14/h2-4,7,9-11,20H,5-6,8H2,1H3.
What are the key properties of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 291.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 164628982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).