[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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Related Compounds

7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 59026289
3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11234244
6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile
CID 59026326
N-(2-methoxyethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 59028562
[2-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 59026269
2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol
CID 68653874
7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4898409
3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
CID 20967183
7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 59026318
(2S,3S)-3-[2-(2-methoxy-4-pyrazol-1-ylphenyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-2-ol
CID 143580408
3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-pentan-3-yloxypyrazolo[4,3-b]pyridine
CID 11611143

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).