methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C14H10ClN3O2 — CID 19916087

IUPACmethyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
InChIInChI=1S/C14H10ClN3O2/c1-20-14(19)12-8-11(9-2-4-10(15)5-3-9)17-13-6-7-16-18(12)13/h2-8H,1H3
InChIKeyYHSOUIGHSSKBMO-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.84
Rot. Bonds2

About methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916087) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916087
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Namemethyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12
InChIInChI=1S/C14H10ClN3O2/c1-20-14(19)12-8-11(9-2-4-10(15)5-3-9)17-13-6-7-16-18(12)13/h2-8H,1H3
InChIKeyYHSOUIGHSSKBMO-UHFFFAOYSA-N
XLogP2.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916087) is methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccnn12.
What is the InChIKey of methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is YHSOUIGHSSKBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-20-14(19)12-8-11(9-2-4-10(15)5-3-9)17-13-6-7-16-18(12)13/h2-8H,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 287.71 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).