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

C27H25N3O2 — CID 134809179

IUPAC(4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)cc1
InChIInChI=1S/C27H25N3O2/c1-19-25(24-12-7-6-11-23(24)20-9-4-3-5-10-20)26-29(17-8-18-30(26)28-19)27(31)21-13-15-22(32-2)16-14-21/h3-7,9-16H,8,17-18H2,1-2H3
InChIKeyVVHQSAGRXQWOAF-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.58
Rot. Bonds4

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

(4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 134809179) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID134809179
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name(4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)cc1
InChIInChI=1S/C27H25N3O2/c1-19-25(24-12-7-6-11-23(24)20-9-4-3-5-10-20)26-29(17-8-18-30(26)28-19)27(31)21-13-15-22(32-2)16-14-21/h3-7,9-16H,8,17-18H2,1-2H3
InChIKeyVVHQSAGRXQWOAF-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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Related Compounds

7-(2-(N-methylacrylamido)phenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983730
N-[4-(2-methoxyphenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 3399743
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenylethanone
CID 122195699
[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
CID 122195700
(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195702
(4-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195703
2-(3-fluorophenyl)-1-[2-methyl-3-(2-phenoxyphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 134806775
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-phenoxybenzamide
CID 145980388
5-(Hydroxymethyl)-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one
CID 134307364
3-(Cyclohexen-1-yl)-5-(hydroxymethyl)-6-(4-methoxyphenyl)-4-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-one
CID 134308274
5-Hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one
CID 134347333

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 134809179) is (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is COc1ccc(C(=O)N2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is VVHQSAGRXQWOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19-25(24-12-7-6-11-23(24)20-9-4-3-5-10-20)26-29(17-8-18-30(26)28-19)27(31)21-13-15-22(32-2)16-14-21/h3-7,9-16H,8,17-18H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
(4-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 (4-methoxyphenyl)-[2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 134809179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).