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

C20H22N4O — CID 134805141

IUPAC3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
SMILESCc1ccncc1-c1c(C)nn2c1N(Cc1cccc(O)c1)CCC2
InChIInChI=1S/C20H22N4O/c1-14-7-8-21-12-18(14)19-15(2)22-24-10-4-9-23(20(19)24)13-16-5-3-6-17(25)11-16/h3,5-8,11-12,25H,4,9-10,13H2,1-2H3
InChIKeyVAVWREYTTZOGOI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.68
Rot. Bonds3

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

3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (PubChem CID 134805141) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
PubChem CID134805141
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol
SMILESCc1ccncc1-c1c(C)nn2c1N(Cc1cccc(O)c1)CCC2
InChIInChI=1S/C20H22N4O/c1-14-7-8-21-12-18(14)19-15(2)22-24-10-4-9-23(20(19)24)13-16-5-3-6-17(25)11-16/h3,5-8,11-12,25H,4,9-10,13H2,1-2H3
InChIKeyVAVWREYTTZOGOI-UHFFFAOYSA-N
XLogP3.68
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The IUPAC name of 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol (CID 134805141) is 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The canonical SMILES for 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is Cc1ccncc1-c1c(C)nn2c1N(Cc1cccc(O)c1)CCC2.
What is the InChIKey of 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
The InChIKey is VAVWREYTTZOGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-7-8-21-12-18(14)19-15(2)22-24-10-4-9-23(20(19)24)13-16-5-3-6-17(25)11-16/h3,5-8,11-12,25H,4,9-10,13H2,1-2H3.
What are the key properties of 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol?
3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenol is sourced from PubChem (CID 134805141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).