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

C24H27N3O2 — CID 134807658

IUPAC(4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)cc1
InChIInChI=1S/C24H27N3O2/c1-16(2)20-8-5-6-9-21(20)22-17(3)25-27-15-7-14-26(23(22)27)24(28)18-10-12-19(29-4)13-11-18/h5-6,8-13,16H,7,14-15H2,1-4H3
InChIKeyARTMAMKEMWDQJA-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.04
Rot. Bonds4

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

(4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 134807658) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID134807658
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)cc1
InChIInChI=1S/C24H27N3O2/c1-16(2)20-8-5-6-9-21(20)22-17(3)25-27-15-7-14-26(23(22)27)24(28)18-10-12-19(29-4)13-11-18/h5-6,8-13,16H,7,14-15H2,1-4H3
InChIKeyARTMAMKEMWDQJA-UHFFFAOYSA-N
XLogP5.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zanubrutinib
CID 135565884
((plusmn))-Zanubrutinib
CID 135905454
2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-(4-Phenoxyphenyl)-7-(1-prop-2-enoylazetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983688
7-(Acrylamidomethyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983767
(R)-Zanubrutinib
CID 137071299
(4-Methoxy-3-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118470919
7-methyl-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983797
US9447106, 29a (peak 1)
CID 137228135
US9447106, 29b (peak 2)
CID 137228136
US9447106, 33a (peak 1)
CID 137228139
US9447106, 33b (peak 2)
CID 137228140

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 134807658) is (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is COc1ccc(C(=O)N2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is ARTMAMKEMWDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16(2)20-8-5-6-9-21(20)22-17(3)25-27-15-7-14-26(23(22)27)24(28)18-10-12-19(29-4)13-11-18/h5-6,8-13,16H,7,14-15H2,1-4H3.
What are the key properties of (4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
(4-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 5.04, 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-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 134807658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).