2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C11H12ClN3O2 — CID 82271525

IUPAC2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)c1cc2nc(C(=O)O)cc(Cl)n2n1
InChIInChI=1S/C11H12ClN3O2/c1-11(2,3)7-5-9-13-6(10(16)17)4-8(12)15(9)14-7/h4-5H,1-3H3,(H,16,17)
InChIKeyHWHQTMJZFDWYDT-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.38
Rot. Bonds1

About 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271525) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271525
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)c1cc2nc(C(=O)O)cc(Cl)n2n1
InChIInChI=1S/C11H12ClN3O2/c1-11(2,3)7-5-9-13-6(10(16)17)4-8(12)15(9)14-7/h4-5H,1-3H3,(H,16,17)
InChIKeyHWHQTMJZFDWYDT-UHFFFAOYSA-N
XLogP2.38
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
2-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115054997
7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84679300
2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 104846648
2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
CID 104621679
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818883
ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate
CID 155896682
N-benzyl-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716800
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
7-methoxycarbonyl-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143346586
1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
CID 46079833

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271525) is 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)(C)c1cc2nc(C(=O)O)cc(Cl)n2n1.
What is the InChIKey of 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is HWHQTMJZFDWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-11(2,3)7-5-9-13-6(10(16)17)4-8(12)15(9)14-7/h4-5H,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 253.69 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).