tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C19H28N4O4 — CID 166721182

IUPACtert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(C(=O)N3CCCCC34CC4)cnn2C(O)C1
InChIInChI=1S/C19H28N4O4/c1-18(2,3)27-17(26)21-11-14-13(10-20-23(14)15(24)12-21)16(25)22-9-5-4-6-19(22)7-8-19/h10,15,24H,4-9,11-12H2,1-3H3
InChIKeyHZJXMVPDZBEGCT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.28
Rot. Bonds1

About tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 166721182) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID166721182
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nametert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(C(=O)N3CCCCC34CC4)cnn2C(O)C1
InChIInChI=1S/C19H28N4O4/c1-18(2,3)27-17(26)21-11-14-13(10-20-23(14)15(24)12-21)16(25)22-9-5-4-6-19(22)7-8-19/h10,15,24H,4-9,11-12H2,1-3H3
InChIKeyHZJXMVPDZBEGCT-UHFFFAOYSA-N
XLogP2.28
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 3-carbamoyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 170622419
tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride
CID 167678210
tert-butyl 1-cyclopropyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 90426967
tert-butyl 3-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484167
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
CID 163488927
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
2-bromo-4-methylbenzoic acid;tert-butyl 8-azaspiro[4.5]decane-8-carboxylate;tert-butyl 1-(2-bromo-4-methylbenzoyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 158585256
tert-butyl 1-(2-bromo-4-methylbenzoyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 1-(2-formyl-4-methylbenzoyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 161311126
[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
tert-butyl 3-hydroxy-4-(5-methyl-4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate
CID 118288729

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 166721182) is tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1Cc2c(C(=O)N3CCCCC34CC4)cnn2C(O)C1.
What is the InChIKey of tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is HZJXMVPDZBEGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-18(2,3)27-17(26)21-11-14-13(10-20-23(14)15(24)12-21)16(25)22-9-5-4-6-19(22)7-8-19/h10,15,24H,4-9,11-12H2,1-3H3.
What are the key properties of tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-azaspiro[2.5]octane-4-carbonyl)-7-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 166721182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).