(2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

C21H25N5O2 — CID 134810055

IUPAC(2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCn2nc(C)c(-c3ccnn3C(C)C)c21
InChIInChI=1S/C21H25N5O2/c1-14(2)26-17(10-11-22-26)19-15(3)23-25-13-7-12-24(20(19)25)21(27)16-8-5-6-9-18(16)28-4/h5-6,8-11,14H,7,12-13H2,1-4H3
InChIKeyAYPIXLSOGYZWIO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.70
Rot. Bonds4

About (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

(2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 134810055) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID134810055
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCn2nc(C)c(-c3ccnn3C(C)C)c21
InChIInChI=1S/C21H25N5O2/c1-14(2)26-17(10-11-22-26)19-15(3)23-25-13-7-12-24(20(19)25)21(27)16-8-5-6-9-18(16)28-4/h5-6,8-11,14H,7,12-13H2,1-4H3
InChIKeyAYPIXLSOGYZWIO-UHFFFAOYSA-N
XLogP3.70
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 134810055) is (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is COc1ccccc1C(=O)N1CCCn2nc(C)c(-c3ccnn3C(C)C)c21.
What is the InChIKey of (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is AYPIXLSOGYZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14(2)26-17(10-11-22-26)19-15(3)23-25-13-7-12-24(20(19)25)21(27)16-8-5-6-9-18(16)28-4/h5-6,8-11,14H,7,12-13H2,1-4H3.
What are the key properties of (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
(2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-methyl-3-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 134810055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).