methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate

C13H16N4O3 — CID 104733435

IUPACmethyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nccn3nc(C)cc23)CCO1
InChIInChI=1S/C13H16N4O3/c1-9-7-10-12(14-3-4-17(10)15-9)16-5-6-20-11(8-16)13(18)19-2/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyCVMQRLSKAKVFAM-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.42
Rot. Bonds2

About methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate

methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate (PubChem CID 104733435) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate
PubChem CID104733435
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nccn3nc(C)cc23)CCO1
InChIInChI=1S/C13H16N4O3/c1-9-7-10-12(14-3-4-17(10)15-9)16-5-6-20-11(8-16)13(18)19-2/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyCVMQRLSKAKVFAM-UHFFFAOYSA-N
XLogP0.42
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylic acid
CID 104729453
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]acetamide
CID 133489997
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
CID 104733431
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146079752
methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate
CID 114053213
methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate
CID 115538521
N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide
CID 133488688
2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
CID 104729670

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate (CID 104733435) is methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate is COC(=O)C1CN(c2nccn3nc(C)cc23)CCO1.
What is the InChIKey of methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate?
The InChIKey is CVMQRLSKAKVFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-7-10-12(14-3-4-17(10)15-9)16-5-6-20-11(8-16)13(18)19-2/h3-4,7,11H,5-6,8H2,1-2H3.
What are the key properties of methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate?
methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate is sourced from PubChem (CID 104733435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).