methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate

C17H24ClN3O3 — CID 86674724

IUPACmethyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate
SMILESCOCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1Cl
InChIInChI=1S/C17H24ClN3O3/c1-10-14(11(7-8-23-5)16(22)24-6)15(18)21-13(19-10)9-12(20-21)17(2,3)4/h9,11H,7-8H2,1-6H3
InChIKeyPAFJCJIARXBJOR-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.28
Rot. Bonds5

About methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate

methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate (PubChem CID 86674724) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate.

Molecular Properties

Compound Namemethyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate
PubChem CID86674724
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Namemethyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate
SMILESCOCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1Cl
InChIInChI=1S/C17H24ClN3O3/c1-10-14(11(7-8-23-5)16(22)24-6)15(18)21-13(19-10)9-12(20-21)17(2,3)4/h9,11H,7-8H2,1-6H3
InChIKeyPAFJCJIARXBJOR-UHFFFAOYSA-N
XLogP3.28
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate with MolForge

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Related Compounds

Methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-6,6,6-trifluorohexanoate
CID 86674723
diethyl 2-(5-chloro-2H-pyrazolo[1,5-a]pyrimidin-2-ylium-7-yl)propanedioate
CID 59635523
Methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 86674708
Methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 86674709
Methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674712
Methyl 2-(7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674714
Ethyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674717
Methyl 2-(3-bromo-2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674718
Methyl 2-(7-chloro-2-isopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 86674720
Methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-phenylpropanoate
CID 86674722
CID 87113036
CID 87113036
Methyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoate
CID 87327448

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate?
The IUPAC name of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate (CID 86674724) is methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate.
What is the SMILES notation for methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate?
The canonical SMILES for methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate is COCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1Cl.
What is the InChIKey of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate?
The InChIKey is PAFJCJIARXBJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-10-14(11(7-8-23-5)16(22)24-6)15(18)21-13(19-10)9-12(20-21)17(2,3)4/h9,11H,7-8H2,1-6H3.
What are the key properties of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate?
methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate has a molecular weight of 353.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-4-methoxybutanoate is sourced from PubChem (CID 86674724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).