ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C14H15Cl2N3O3 — CID 162686090

IUPACethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(Cl)cc(Cl)nc2c1C1CCOCC1
InChIInChI=1S/C14H15Cl2N3O3/c1-2-22-14(20)12-11(8-3-5-21-6-4-8)13-17-9(15)7-10(16)19(13)18-12/h7-8H,2-6H2,1H3
InChIKeyMBXJYTCXQIAEPB-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.11
Rot. Bonds3

About ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 162686090) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID162686090
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Nameethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(Cl)cc(Cl)nc2c1C1CCOCC1
InChIInChI=1S/C14H15Cl2N3O3/c1-2-22-14(20)12-11(8-3-5-21-6-4-8)13-17-9(15)7-10(16)19(13)18-12/h7-8H,2-6H2,1H3
InChIKeyMBXJYTCXQIAEPB-UHFFFAOYSA-N
XLogP3.11
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 162686171
ethyl 5-(oxan-4-yl)-1,2-oxazole-3-carboxylate
CID 154791593
ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
CID 165398321
ethyl 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 86678158
ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 156703963
ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate
CID 66010377
ethyl 2,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine-4-carboxylate
CID 168887303
ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155702373
ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate
CID 171935288
ethyl 3,6-dichloro-7-[1-(oxan-4-yl)ethyl]pyrrolo[1,2-b]pyridazine-5-carboxylate
CID 90461749
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
CID 112707165
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 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 162686090) is ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1nn2c(Cl)cc(Cl)nc2c1C1CCOCC1.
What is the InChIKey of ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is MBXJYTCXQIAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-2-22-14(20)12-11(8-3-5-21-6-4-8)13-17-9(15)7-10(16)19(13)18-12/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 344.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dichloro-3-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 162686090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).