ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C12H14ClN3O2 — CID 114514655

IUPACethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCCc1cc(Cl)n2nc(C(=O)OCC)cc2n1
InChIInChI=1S/C12H14ClN3O2/c1-3-5-8-6-10(13)16-11(14-8)7-9(15-16)12(17)18-4-2/h6-7H,3-5H2,1-2H3
InChIKeyFBMACIKEQCBJPO-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.51
Rot. Bonds4

About ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 114514655) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID114514655
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Nameethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCCc1cc(Cl)n2nc(C(=O)OCC)cc2n1
InChIInChI=1S/C12H14ClN3O2/c1-3-5-8-6-10(13)16-11(14-8)7-9(15-16)12(17)18-4-2/h6-7H,3-5H2,1-2H3
InChIKeyFBMACIKEQCBJPO-UHFFFAOYSA-N
XLogP2.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-chloro-5-(spiro[3.3]heptan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 172500709
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
ethyl 7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 19989216
ethyl 5-(2-cyclopentylethyl)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206308
methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 16767710
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
CID 83702760
ethyl 5-(cyclobutylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205929
ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205844
ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200581
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 168655039
ethyl 5-(cyclohexylmethyl)-7-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206190

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 114514655) is ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate is CCCc1cc(Cl)n2nc(C(=O)OCC)cc2n1.
What is the InChIKey of ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is FBMACIKEQCBJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-3-5-8-6-10(13)16-11(14-8)7-9(15-16)12(17)18-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 267.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 114514655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).