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

C15H25N3O2 — CID 155954677

IUPACmethyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2c1CN(CCCC(C)(C)C)CC2
InChIInChI=1S/C15H25N3O2/c1-15(2,3)6-5-7-17-8-9-18-13(11-17)12(10-16-18)14(19)20-4/h10H,5-9,11H2,1-4H3
InChIKeyMHFODJUGSISYEK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.31
Rot. Bonds4

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

methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 155954677) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID155954677
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2c1CN(CCCC(C)(C)C)CC2
InChIInChI=1S/C15H25N3O2/c1-15(2,3)6-5-7-17-8-9-18-13(11-17)12(10-16-18)14(19)20-4/h10H,5-9,11H2,1-4H3
InChIKeyMHFODJUGSISYEK-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate (CID 155954677) is methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate is COC(=O)c1cnn2c1CN(CCCC(C)(C)C)CC2.
What is the InChIKey of methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is MHFODJUGSISYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)6-5-7-17-8-9-18-13(11-17)12(10-16-18)14(19)20-4/h10H,5-9,11H2,1-4H3.
What are the key properties of methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate?
methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 155954677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).