(2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

C27H25N3O2 — CID 134806838

IUPAC(2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCn2nc(C)c(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C27H25N3O2/c1-19-25(22-14-7-6-13-21(22)20-11-4-3-5-12-20)26-29(17-10-18-30(26)28-19)27(31)23-15-8-9-16-24(23)32-2/h3-9,11-16H,10,17-18H2,1-2H3
InChIKeyUIUXWDCPRDVRRN-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.58
Rot. Bonds4

About (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

(2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 134806838) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID134806838
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name(2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCn2nc(C)c(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C27H25N3O2/c1-19-25(22-14-7-6-13-21(22)20-11-4-3-5-12-20)26-29(17-10-18-30(26)28-19)27(31)23-15-8-9-16-24(23)32-2/h3-9,11-16H,10,17-18H2,1-2H3
InChIKeyUIUXWDCPRDVRRN-UHFFFAOYSA-N
XLogP5.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 134806838) is (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is COc1ccccc1C(=O)N1CCCn2nc(C)c(-c3ccccc3-c3ccccc3)c21.
What is the InChIKey of (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is UIUXWDCPRDVRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19-25(22-14-7-6-13-21(22)20-11-4-3-5-12-20)26-29(17-10-18-30(26)28-19)27(31)23-15-8-9-16-24(23)32-2/h3-9,11-16H,10,17-18H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
(2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 423.52 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 134806838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).