methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate

C11H13N3O2 — CID 178051922

IUPACmethyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(C(C)C)ncc12
InChIInChI=1S/C11H13N3O2/c1-7(2)9-6-14-10(5-12-9)8(4-13-14)11(15)16-3/h4-7H,1-3H3
InChIKeyDJWFVHDGRYMZSO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.64
Rot. Bonds2

About methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate

methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 178051922) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID178051922
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(C(C)C)ncc12
InChIInChI=1S/C11H13N3O2/c1-7(2)9-6-14-10(5-12-9)8(4-13-14)11(15)16-3/h4-7H,1-3H3
InChIKeyDJWFVHDGRYMZSO-UHFFFAOYSA-N
XLogP1.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745
methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 154561873
methyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91825806
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
6-methylpyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 154734262
methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 146558753
methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 134548276
1-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one
CID 118564456
dimethyl 6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-3,5-dicarboxylate
CID 163390715

Frequently Asked Questions

What is the IUPAC name of methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate (CID 178051922) is methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate is COC(=O)c1cnn2cc(C(C)C)ncc12.
What is the InChIKey of methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is DJWFVHDGRYMZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)9-6-14-10(5-12-9)8(4-13-14)11(15)16-3/h4-7H,1-3H3.
What are the key properties of methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate?
methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 178051922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).