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

C24H29N3O2 — CID 134806770

IUPAC2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
SMILESCOc1ccc(CN2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)cc1O
InChIInChI=1S/C24H29N3O2/c1-16(2)19-8-5-6-9-20(19)23-17(3)25-27-13-7-12-26(24(23)27)15-18-10-11-22(29-4)21(28)14-18/h5-6,8-11,14,16,28H,7,12-13,15H2,1-4H3
InChIKeyCVCAMIRBTIPWDN-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.11
Rot. Bonds5

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

2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (PubChem CID 134806770) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
PubChem CID134806770
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
SMILESCOc1ccc(CN2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)cc1O
InChIInChI=1S/C24H29N3O2/c1-16(2)19-8-5-6-9-20(19)23-17(3)25-27-13-7-12-26(24(23)27)15-18-10-11-22(29-4)21(28)14-18/h5-6,8-11,14,16,28H,7,12-13,15H2,1-4H3
InChIKeyCVCAMIRBTIPWDN-UHFFFAOYSA-N
XLogP5.11
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (CID 134806770) is 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is COc1ccc(CN2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)cc1O.
What is the InChIKey of 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The InChIKey is CVCAMIRBTIPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)19-8-5-6-9-20(19)23-17(3)25-27-13-7-12-26(24(23)27)15-18-10-11-22(29-4)21(28)14-18/h5-6,8-11,14,16,28H,7,12-13,15H2,1-4H3.
What are the key properties of 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol has a molecular weight of 391.52 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is sourced from PubChem (CID 134806770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).