5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C17H23N3O — CID 144757764

IUPAC5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCCCN1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C17H23N3O/c1-2-3-9-19-10-11-20-16(13-19)12-17(18-20)21-14-15-7-5-4-6-8-15/h4-8,12H,2-3,9-11,13-14H2,1H3
InChIKeyMKNHDWYSMLGCJJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds6

About 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 144757764) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID144757764
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCCCN1CCn2nc(OCc3ccccc3)cc2C1
InChIInChI=1S/C17H23N3O/c1-2-3-9-19-10-11-20-16(13-19)12-17(18-20)21-14-15-7-5-4-6-8-15/h4-8,12H,2-3,9-11,13-14H2,1H3
InChIKeyMKNHDWYSMLGCJJ-UHFFFAOYSA-N
XLogP3.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 123629266
2-ethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 72703429
3-methyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)hexan-1-one
CID 123638608
2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 118065816
ethane;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 144757774
(3-fluoro-3-methylcyclobutyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065782
(3-fluoro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065760
(2-methylpyrimidin-4-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703430
3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
(3-fluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703213
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 144757764) is 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CCCCN1CCn2nc(OCc3ccccc3)cc2C1.
What is the InChIKey of 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is MKNHDWYSMLGCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-9-19-10-11-20-16(13-19)12-17(18-20)21-14-15-7-5-4-6-8-15/h4-8,12H,2-3,9-11,13-14H2,1H3.
What are the key properties of 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 285.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 144757764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).