5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C19H27N3O2 — CID 167206071

IUPAC5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCC(CC)c1cc(CC2CCCCC2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C19H27N3O2/c1-3-14(4-2)17-11-15(10-13-8-6-5-7-9-13)20-18-12-16(19(23)24)21-22(17)18/h11-14H,3-10H2,1-2H3,(H,23,24)
InChIKeyIGXISHUGWNSRMF-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.45
Rot. Bonds6

About 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 167206071) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID167206071
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCC(CC)c1cc(CC2CCCCC2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C19H27N3O2/c1-3-14(4-2)17-11-15(10-13-8-6-5-7-9-13)20-18-12-16(19(23)24)21-22(17)18/h11-14H,3-10H2,1-2H3,(H,23,24)
InChIKeyIGXISHUGWNSRMF-UHFFFAOYSA-N
XLogP4.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 167206071) is 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCC(CC)c1cc(CC2CCCCC2)nc2cc(C(=O)O)nn12.
What is the InChIKey of 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is IGXISHUGWNSRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-14(4-2)17-11-15(10-13-8-6-5-7-9-13)20-18-12-16(19(23)24)21-22(17)18/h11-14H,3-10H2,1-2H3,(H,23,24).
What are the key properties of 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-7-pentan-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 167206071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).