5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H21N3O2S — CID 70223983

IUPAC5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COC2CCCC2)nc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12
InChIInChI=1S/C22H21N3O2S/c26-21-11-17(13-27-18-8-4-5-9-18)24-22-19(12-23-25(21)22)20-10-16(14-28-20)15-6-2-1-3-7-15/h1-3,6-7,10-12,14,18,23H,4-5,8-9,13H2
InChIKeyJDCSKUCENYUXTC-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.88
Rot. Bonds5

About 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70223983) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70223983
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COC2CCCC2)nc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12
InChIInChI=1S/C22H21N3O2S/c26-21-11-17(13-27-18-8-4-5-9-18)24-22-19(12-23-25(21)22)20-10-16(14-28-20)15-6-2-1-3-7-15/h1-3,6-7,10-12,14,18,23H,4-5,8-9,13H2
InChIKeyJDCSKUCENYUXTC-UHFFFAOYSA-N
XLogP4.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70223983) is 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(COC2CCCC2)nc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12.
What is the InChIKey of 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JDCSKUCENYUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-21-11-17(13-27-18-8-4-5-9-18)24-22-19(12-23-25(21)22)20-10-16(14-28-20)15-6-2-1-3-7-15/h1-3,6-7,10-12,14,18,23H,4-5,8-9,13H2.
What are the key properties of 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 391.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70223983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).