3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one

C20H27N3O2 — CID 123638608

IUPAC3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one
SMILESCCCC(C)CC(=O)N1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C20H27N3O2/c1-3-7-16(2)12-20(24)22-10-11-23-18(14-22)13-19(21-23)25-15-17-8-5-4-6-9-17/h4-6,8-9,13,16H,3,7,10-12,14-15H2,1-2H3
InChIKeyJNNXWOHPCLYGDS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.63
Rot. Bonds7

About 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one

3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one (PubChem CID 123638608) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one
PubChem CID123638608
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one
SMILESCCCC(C)CC(=O)N1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C20H27N3O2/c1-3-7-16(2)12-20(24)22-10-11-23-18(14-22)13-19(21-23)25-15-17-8-5-4-6-9-17/h4-6,8-9,13,16H,3,7,10-12,14-15H2,1-2H3
InChIKeyJNNXWOHPCLYGDS-UHFFFAOYSA-N
XLogP3.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one?
The IUPAC name of 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one (CID 123638608) is 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one.
What is the SMILES notation for 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one?
The canonical SMILES for 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one is CCCC(C)CC(=O)N1CCn2nc(OCc3ccccc3)cc2C1.
What is the InChIKey of 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one?
The InChIKey is JNNXWOHPCLYGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-7-16(2)12-20(24)22-10-11-23-18(14-22)13-19(21-23)25-15-17-8-5-4-6-9-17/h4-6,8-9,13,16H,3,7,10-12,14-15H2,1-2H3.
What are the key properties of 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one?
3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one is sourced from PubChem (CID 123638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).