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

C14H17N3O3 — CID 82271514

IUPAC2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CC3)cc12
InChIInChI=1S/C14H17N3O3/c1-8(2)7-16-11(14(19)20)6-13(18)17-12(16)5-10(15-17)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyLRELMJJUEUNBSW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.73
Rot. Bonds4

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

2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271514) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271514
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CC3)cc12
InChIInChI=1S/C14H17N3O3/c1-8(2)7-16-11(14(19)20)6-13(18)17-12(16)5-10(15-17)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyLRELMJJUEUNBSW-UHFFFAOYSA-N
XLogP1.73
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271519
2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271518
2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271513
2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271501
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
6-chloro-3-(2-methylpropyl)-2-oxopyrimidine-4-carboxylic acid
CID 83852569
6-cyclopropyl-1-(2-methylpropyl)imidazo[2,1-e]pyrazole
CID 121214838
2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82078907
2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175121313
2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 155272214
2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 71683769
3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid
CID 83731165

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271514) is 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CC3)cc12.
What is the InChIKey of 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is LRELMJJUEUNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)7-16-11(14(19)20)6-13(18)17-12(16)5-10(15-17)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).