benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C19H22N4O4 — CID 134788049

IUPACbenzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C19H22N4O4/c24-18(21-8-10-26-11-9-21)16-12-20-23-7-6-22(13-17(16)23)19(25)27-14-15-4-2-1-3-5-15/h1-5,12H,6-11,13-14H2
InChIKeyRBSZUBWMEVTGBO-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.51
Rot. Bonds3

About benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134788049) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134788049
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Namebenzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C19H22N4O4/c24-18(21-8-10-26-11-9-21)16-12-20-23-7-6-22(13-17(16)23)19(25)27-14-15-4-2-1-3-5-15/h1-5,12H,6-11,13-14H2
InChIKeyRBSZUBWMEVTGBO-UHFFFAOYSA-N
XLogP1.51
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 134787973
[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 96417781
benzyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788680
benzyl 3-[(6-chloro-3-pyridinyl)methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134789080
benzyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134789971
(5-methyl-1-pyridin-4-ylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97101945
benzyl (3R)-3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 97929599
5-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 117616562
5-O-[[3,5-bis(trifluoromethyl)phenyl]methyl] 3-O-ethyl 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylate
CID 117616685
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)methanone
CID 146491675
benzyl 3-[2-(difluoromethoxy)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 153574401
benzyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 156773130

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134788049) is benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is O=C(OCc1ccccc1)N1CCn2ncc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is RBSZUBWMEVTGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-18(21-8-10-26-11-9-21)16-12-20-23-7-6-22(13-17(16)23)19(25)27-14-15-4-2-1-3-5-15/h1-5,12H,6-11,13-14H2.
What are the key properties of benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134788049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).