methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C21H23N3O3 — CID 15957949

IUPACmethyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2ncc(-c3ccc(OC)cc3)c(C3CCCCC3)n2n1
InChIInChI=1S/C21H23N3O3/c1-26-16-10-8-14(9-11-16)17-13-22-19-12-18(21(25)27-2)23-24(19)20(17)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3
InChIKeyGVSOYFPRQHWBEU-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.24
Rot. Bonds4

About methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 15957949) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID15957949
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2ncc(-c3ccc(OC)cc3)c(C3CCCCC3)n2n1
InChIInChI=1S/C21H23N3O3/c1-26-16-10-8-14(9-11-16)17-13-22-19-12-18(21(25)27-2)23-24(19)20(17)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3
InChIKeyGVSOYFPRQHWBEU-UHFFFAOYSA-N
XLogP4.24
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 15957949) is methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2ncc(-c3ccc(OC)cc3)c(C3CCCCC3)n2n1.
What is the InChIKey of methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is GVSOYFPRQHWBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-16-10-8-14(9-11-16)17-13-22-19-12-18(21(25)27-2)23-24(19)20(17)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3.
What are the key properties of methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 15957949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).