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

C22H21N3OS — CID 67787012

IUPAC6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(C2CCCCC2)cnc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12
InChIInChI=1S/C22H21N3OS/c26-22-18(16-9-5-2-6-10-16)12-23-21-19(13-24-25(21)22)20-11-17(14-27-20)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,24H,2,5-6,9-10H2
InChIKeyDURFJEQHLHVCRM-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.47
Rot. Bonds3

About 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 67787012) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID67787012
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(C2CCCCC2)cnc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12
InChIInChI=1S/C22H21N3OS/c26-22-18(16-9-5-2-6-10-16)12-23-21-19(13-24-25(21)22)20-11-17(14-27-20)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,24H,2,5-6,9-10H2
InChIKeyDURFJEQHLHVCRM-UHFFFAOYSA-N
XLogP5.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 9998675
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CID 10892174
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CID 11759680
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CID 11833892
6-phenyl-3-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 15484988
3-phenyl-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 44336281
6-phenyl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
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CID 137659744
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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 67787012) is 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(C2CCCCC2)cnc2c(-c3cc(-c4ccccc4)cs3)c[nH]n12.
What is the InChIKey of 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DURFJEQHLHVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c26-22-18(16-9-5-2-6-10-16)12-23-21-19(13-24-25(21)22)20-11-17(14-27-20)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16,24H,2,5-6,9-10H2.
What are the key properties of 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 375.50 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 67787012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).