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

C13H18N4O4 — CID 134787396

IUPACmethyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C13H18N4O4/c1-20-13(19)16-2-3-17-11(9-16)10(8-14-17)12(18)15-4-6-21-7-5-15/h8H,2-7,9H2,1H3
InChIKeyBOQBGRARTVUZFH-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.06
Rot. Bonds1

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

methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134787396) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134787396
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Namemethyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C13H18N4O4/c1-20-13(19)16-2-3-17-11(9-16)10(8-14-17)12(18)15-4-6-21-7-5-15/h8H,2-7,9H2,1H3
InChIKeyBOQBGRARTVUZFH-UHFFFAOYSA-N
XLogP-0.06
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-formyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 72211567
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
Sdccgsbi-0663000.P001
CID 134788980
1-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 134787978
methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788380
5-acetyl-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134789190
methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134790634
2-{4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethanol
CID 72891925
tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate
CID 86781478
(1-tert-butyl-3-methylpyrazol-4-yl)-[(5R)-6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl]methanone
CID 164636658
tert-butyl 3-[[1-(difluoromethoxymethyl)cyclopropyl]carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 149938499

Frequently Asked Questions

What is the IUPAC name of methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134787396) is methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is COC(=O)N1CCn2ncc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is BOQBGRARTVUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-20-13(19)16-2-3-17-11(9-16)10(8-14-17)12(18)15-4-6-21-7-5-15/h8H,2-7,9H2,1H3.
What are the key properties of methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 294.31 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134787396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).