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

C20H21N3O3 — CID 15957960

IUPAC7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-15-9-7-13(8-10-15)16-11-21-19-17(20(24)25)12-22-23(19)18(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,25)
InChIKeyMZXWNGUFSKBBBX-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.15
Rot. Bonds4

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

7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15957960) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15957960
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-15-9-7-13(8-10-15)16-11-21-19-17(20(24)25)12-22-23(19)18(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,25)
InChIKeyMZXWNGUFSKBBBX-UHFFFAOYSA-N
XLogP4.15
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.15
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-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15957960) is 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ccc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)cc1.
What is the InChIKey of 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MZXWNGUFSKBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-15-9-7-13(8-10-15)16-11-21-19-17(20(24)25)12-22-23(19)18(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,25).
What are the key properties of 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 351.41 g/mol, XLogP of 4.15, 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-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15957960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).