3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C21H24N6O — CID 11234244

IUPAC3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(NC(C)C)cc(C)nc12
InChIInChI=1S/C21H24N6O/c1-13(2)23-19-11-14(3)24-21-20(15(4)25-27(19)21)17-8-7-16(12-18(17)28-5)26-10-6-9-22-26/h6-13,23H,1-5H3
InChIKeyGJNCKTTXDBNNQJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.03
Rot. Bonds5

About 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11234244) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11234244
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(NC(C)C)cc(C)nc12
InChIInChI=1S/C21H24N6O/c1-13(2)23-19-11-14(3)24-21-20(15(4)25-27(19)21)17-8-7-16(12-18(17)28-5)26-10-6-9-22-26/h6-13,23H,1-5H3
InChIKeyGJNCKTTXDBNNQJ-UHFFFAOYSA-N
XLogP4.03
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.03
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-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11234244) is 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cc(-n2cccn2)ccc1-c1c(C)nn2c(NC(C)C)cc(C)nc12.
What is the InChIKey of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GJNCKTTXDBNNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13(2)23-19-11-14(3)24-21-20(15(4)25-27(19)21)17-8-7-16(12-18(17)28-5)26-10-6-9-22-26/h6-13,23H,1-5H3.
What are the key properties of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.46 g/mol, XLogP of 4.03, 5 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-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11234244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).