methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C18H14N4O3 — CID 170633535

IUPACmethyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c(Oc2cccc(C3CC3)c2)cnc2cc(C#N)nn12
InChIInChI=1S/C18H14N4O3/c1-24-18(23)17-15(10-20-16-8-13(9-19)21-22(16)17)25-14-4-2-3-12(7-14)11-5-6-11/h2-4,7-8,10-11H,5-6H2,1H3
InChIKeyOSAZSAAGHBKLSH-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 170633535) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID170633535
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Namemethyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c(Oc2cccc(C3CC3)c2)cnc2cc(C#N)nn12
InChIInChI=1S/C18H14N4O3/c1-24-18(23)17-15(10-20-16-8-13(9-19)21-22(16)17)25-14-4-2-3-12(7-14)11-5-6-11/h2-4,7-8,10-11H,5-6H2,1H3
InChIKeyOSAZSAAGHBKLSH-UHFFFAOYSA-N
XLogP3.06
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 170633535) is methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1c(Oc2cccc(C3CC3)c2)cnc2cc(C#N)nn12.
What is the InChIKey of methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is OSAZSAAGHBKLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-24-18(23)17-15(10-20-16-8-13(9-19)21-22(16)17)25-14-4-2-3-12(7-14)11-5-6-11/h2-4,7-8,10-11H,5-6H2,1H3.
What are the key properties of methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 334.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-6-(3-cyclopropylphenoxy)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 170633535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).