3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C26H22N4O3 — CID 24864577

IUPAC3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2cnn3ccc(Nc4ccc(Oc5ccccc5)cc4)nc23)cc1OC
InChIInChI=1S/C26H22N4O3/c1-31-23-13-8-18(16-24(23)32-2)22-17-27-30-15-14-25(29-26(22)30)28-19-9-11-21(12-10-19)33-20-6-4-3-5-7-20/h3-17H,1-2H3,(H,28,29)
InChIKeyHCECKJWYVFOIGX-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.95
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 24864577) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID24864577
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2cnn3ccc(Nc4ccc(Oc5ccccc5)cc4)nc23)cc1OC
InChIInChI=1S/C26H22N4O3/c1-31-23-13-8-18(16-24(23)32-2)22-17-27-30-15-14-25(29-26(22)30)28-19-9-11-21(12-10-19)33-20-6-4-3-5-7-20/h3-17H,1-2H3,(H,28,29)
InChIKeyHCECKJWYVFOIGX-UHFFFAOYSA-N
XLogP5.95
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 59662516
2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 59662371
N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 24866388
N-(6-methoxy-3-pyridinyl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 59662404
3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 141199628
3-(1-benzylpyrazol-4-yl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[3-[5-(4-phenoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
CID 160864808
4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 71150937
4-[5-[(6-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 24864574
N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene
CID 143598029
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011253
N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 143598102
3-[(4E,6Z)-2-methylocta-2,4,6-trien-4-yl]-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 89298482

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 24864577) is 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2cnn3ccc(Nc4ccc(Oc5ccccc5)cc4)nc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HCECKJWYVFOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-31-23-13-8-18(16-24(23)32-2)22-17-27-30-15-14-25(29-26(22)30)28-19-9-11-21(12-10-19)33-20-6-4-3-5-7-20/h3-17H,1-2H3,(H,28,29).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 438.49 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 24864577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).