4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol

C21H20N4O3 — CID 71150937

IUPAC4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCOc1cc(Nc2ccn3ncc(-c4ccc(O)cc4)c3n2)cc(C)c1OC
InChIInChI=1S/C21H20N4O3/c1-13-10-15(11-18(27-2)20(13)28-3)23-19-8-9-25-21(24-19)17(12-22-25)14-4-6-16(26)7-5-14/h4-12,26H,1-3H3,(H,23,24)
InChIKeyLBNILRWBKHFDEA-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.17
Rot. Bonds5

About 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol

4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 71150937) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID71150937
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCOc1cc(Nc2ccn3ncc(-c4ccc(O)cc4)c3n2)cc(C)c1OC
InChIInChI=1S/C21H20N4O3/c1-13-10-15(11-18(27-2)20(13)28-3)23-19-8-9-25-21(24-19)17(12-22-25)14-4-6-16(26)7-5-14/h4-12,26H,1-3H3,(H,23,24)
InChIKeyLBNILRWBKHFDEA-UHFFFAOYSA-N
XLogP4.17
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 71150937) is 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol is COc1cc(Nc2ccn3ncc(-c4ccc(O)cc4)c3n2)cc(C)c1OC.
What is the InChIKey of 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is LBNILRWBKHFDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-10-15(11-18(27-2)20(13)28-3)23-19-8-9-25-21(24-19)17(12-22-25)14-4-6-16(26)7-5-14/h4-12,26H,1-3H3,(H,23,24).
What are the key properties of 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 376.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 71150937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).