5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C16H21N3O2 — CID 167205842

IUPAC5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCc1cc(C2CCCCCC2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C16H21N3O2/c1-2-12-9-13(11-7-5-3-4-6-8-11)17-15-10-14(16(20)21)18-19(12)15/h9-11H,2-8H2,1H3,(H,20,21)
InChIKeyLWCSSYAQRLEGRQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds3

About 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 167205842) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID167205842
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCc1cc(C2CCCCCC2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C16H21N3O2/c1-2-12-9-13(11-7-5-3-4-6-8-11)17-15-10-14(16(20)21)18-19(12)15/h9-11H,2-8H2,1H3,(H,20,21)
InChIKeyLWCSSYAQRLEGRQ-UHFFFAOYSA-N
XLogP3.43
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205844
7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206273
5-(cyclohexylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206058
azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 167206284
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206071
2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82078907
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
5-(cyclohexylmethyl)-7-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206070
[7-ethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 145178705
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
[7-ethyl-2-(4-pyrimidin-5-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 122663456

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 167205842) is 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCc1cc(C2CCCCCC2)nc2cc(C(=O)O)nn12.
What is the InChIKey of 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is LWCSSYAQRLEGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-12-9-13(11-7-5-3-4-6-8-11)17-15-10-14(16(20)21)18-19(12)15/h9-11H,2-8H2,1H3,(H,20,21).
What are the key properties of 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 167205842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).