7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C21H23N3O3 — CID 15958154

IUPAC7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-13-10-15(27-2)8-9-16(13)17-11-22-20-18(21(25)26)12-23-24(20)19(17)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,25,26)
InChIKeySQWALLRTDRQDEC-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.46
Rot. Bonds4

About 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958154) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958154
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-13-10-15(27-2)8-9-16(13)17-11-22-20-18(21(25)26)12-23-24(20)19(17)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,25,26)
InChIKeySQWALLRTDRQDEC-UHFFFAOYSA-N
XLogP4.46
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.46
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-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958154) is 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ccc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)c(C)c1.
What is the InChIKey of 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is SQWALLRTDRQDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-10-15(27-2)8-9-16(13)17-11-22-20-18(21(25)26)12-23-24(20)19(17)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,25,26).
What are the key properties of 7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.46, 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-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).