6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C20H21N3O3 — CID 15957972

IUPAC6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2nc3cc(C(=O)O)nn3cc2C2CCCCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-15-9-7-14(8-10-15)19-16(13-5-3-2-4-6-13)12-23-18(21-19)11-17(22-23)20(24)25/h7-13H,2-6H2,1H3,(H,24,25)
InChIKeyGOLJSEZOZAZOSM-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.15
Rot. Bonds4

About 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15957972) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15957972
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOc1ccc(-c2nc3cc(C(=O)O)nn3cc2C2CCCCC2)cc1
InChIInChI=1S/C20H21N3O3/c1-26-15-9-7-14(8-10-15)19-16(13-5-3-2-4-6-13)12-23-18(21-19)11-17(22-23)20(24)25/h7-13H,2-6H2,1H3,(H,24,25)
InChIKeyGOLJSEZOZAZOSM-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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Related Compounds

methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 15957949
4-[5-cyclopentyl-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
CID 138532432
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957960
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82089498
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
6-cyclohexyl-5-[4-[(3-methoxyphenyl)methoxy]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15958208
N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693972
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride
CID 66592532
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate
CID 175092476

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15957972) is 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is COc1ccc(-c2nc3cc(C(=O)O)nn3cc2C2CCCCC2)cc1.
What is the InChIKey of 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is GOLJSEZOZAZOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-15-9-7-14(8-10-15)19-16(13-5-3-2-4-6-13)12-23-18(21-19)11-17(22-23)20(24)25/h7-13H,2-6H2,1H3,(H,24,25).
What are the key properties of 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-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 6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15957972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).