2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C16H21N3O3 — CID 82271519

IUPAC2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CCCC3)cc12
InChIInChI=1S/C16H21N3O3/c1-10(2)9-18-13(16(21)22)8-15(20)19-14(18)7-12(17-19)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyYLBPQRQSFQAFIG-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.51
Rot. Bonds4

About 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271519) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271519
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CCCC3)cc12
InChIInChI=1S/C16H21N3O3/c1-10(2)9-18-13(16(21)22)8-15(20)19-14(18)7-12(17-19)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,22)
InChIKeyYLBPQRQSFQAFIG-UHFFFAOYSA-N
XLogP2.51
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271519) is 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CCCC3)cc12.
What is the InChIKey of 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is YLBPQRQSFQAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)9-18-13(16(21)22)8-15(20)19-14(18)7-12(17-19)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,22).
What are the key properties of 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).