ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate

C13H16ClN3O2 — CID 155896682

IUPACethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C13H16ClN3O2/c1-5-19-12(18)13(3,4)9-7-10(14)17-11(15-9)6-8(2)16-17/h6-7H,5H2,1-4H3
InChIKeyXKDZHPLUYLBILL-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.53
Rot. Bonds3

About ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate

ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate (PubChem CID 155896682) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate
PubChem CID155896682
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Nameethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(Cl)n2nc(C)cc2n1
InChIInChI=1S/C13H16ClN3O2/c1-5-19-12(18)13(3,4)9-7-10(14)17-11(15-9)6-8(2)16-17/h6-7H,5H2,1-4H3
InChIKeyXKDZHPLUYLBILL-UHFFFAOYSA-N
XLogP2.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
CID 88573880
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514655
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylsulfonylpropanamide
CID 126826057
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 88968275
2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
CID 104621679
ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
ethyl 2-methyl-2-pyrazin-2-ylpropanoate
CID 63967744
ethyl 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 19989216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate (CID 155896682) is ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1cc(Cl)n2nc(C)cc2n1.
What is the InChIKey of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate?
The InChIKey is XKDZHPLUYLBILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-5-19-12(18)13(3,4)9-7-10(14)17-11(15-9)6-8(2)16-17/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate?
ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate has a molecular weight of 281.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate is sourced from PubChem (CID 155896682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).