[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol

C19H19N5O2 — CID 59026282

IUPAC[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(CO)cc(C)nc12
InChIInChI=1S/C19H19N5O2/c1-12-9-15(11-25)24-19(21-12)18(13(2)22-24)16-6-5-14(10-17(16)26-3)23-8-4-7-20-23/h4-10,25H,11H2,1-3H3
InChIKeyLMZFRYNNKPIKSM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.70
Rot. Bonds4

About [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol

[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol (PubChem CID 59026282) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol.

Molecular Properties

Compound Name[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol
PubChem CID59026282
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(CO)cc(C)nc12
InChIInChI=1S/C19H19N5O2/c1-12-9-15(11-25)24-19(21-12)18(13(2)22-24)16-6-5-14(10-17(16)26-3)23-8-4-7-20-23/h4-10,25H,11H2,1-3H3
InChIKeyLMZFRYNNKPIKSM-UHFFFAOYSA-N
XLogP2.70
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol?
The IUPAC name of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol (CID 59026282) is [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol.
What is the SMILES notation for [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol?
The canonical SMILES for [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol is COc1cc(-n2cccn2)ccc1-c1c(C)nn2c(CO)cc(C)nc12.
What is the InChIKey of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol?
The InChIKey is LMZFRYNNKPIKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-9-15(11-25)24-19(21-12)18(13(2)22-24)16-6-5-14(10-17(16)26-3)23-8-4-7-20-23/h4-10,25H,11H2,1-3H3.
What are the key properties of [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol?
[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol has a molecular weight of 349.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]methanol is sourced from PubChem (CID 59026282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).