7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C23H21N3O3 — CID 10000277

IUPAC7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(-c4ccoc4)cc3)cnc12
InChIInChI=1S/C23H21N3O3/c27-23(28)20-13-25-26-21(17-4-2-1-3-5-17)19(12-24-22(20)26)16-8-6-15(7-9-16)18-10-11-29-14-18/h6-14,17H,1-5H2,(H,27,28)
InChIKeyKBDAQDMKOPMOAD-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.40
Rot. Bonds4

About 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 10000277) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID10000277
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(-c4ccoc4)cc3)cnc12
InChIInChI=1S/C23H21N3O3/c27-23(28)20-13-25-26-21(17-4-2-1-3-5-17)19(12-24-22(20)26)16-8-6-15(7-9-16)18-10-11-29-14-18/h6-14,17H,1-5H2,(H,27,28)
InChIKeyKBDAQDMKOPMOAD-UHFFFAOYSA-N
XLogP5.40
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 10000277) is 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(-c4ccoc4)cc3)cnc12.
What is the InChIKey of 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is KBDAQDMKOPMOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-23(28)20-13-25-26-21(17-4-2-1-3-5-17)19(12-24-22(20)26)16-8-6-15(7-9-16)18-10-11-29-14-18/h6-14,17H,1-5H2,(H,27,28).
What are the key properties of 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-[4-(furan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 10000277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).