ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C10H10ClN3O2 — CID 103200581

IUPACethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(CCl)n2n1
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)8-5-9-12-4-3-7(6-11)14(9)13-8/h3-5H,2,6H2,1H3
InChIKeyUBWQLIKQDJLEGA-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.64
Rot. Bonds3

About ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 103200581) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID103200581
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nccc(CCl)n2n1
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)8-5-9-12-4-3-7(6-11)14(9)13-8/h3-5H,2,6H2,1H3
InChIKeyUBWQLIKQDJLEGA-UHFFFAOYSA-N
XLogP1.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200564
ethyl 7-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200619
ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200618
ethyl 7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 24775846
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514655
ethyl 5-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19414384
ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205844
ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 168655039
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 103200581) is ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nccc(CCl)n2n1.
What is the InChIKey of ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is UBWQLIKQDJLEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-2-16-10(15)8-5-9-12-4-3-7(6-11)14(9)13-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).