2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C13H22N4O — CID 56915558

IUPAC2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOCC1CCN(Cc2cc3n(n2)CCNC3)C1
InChIInChI=1S/C13H22N4O/c1-18-10-11-2-4-16(8-11)9-12-6-13-7-14-3-5-17(13)15-12/h6,11,14H,2-5,7-10H2,1H3
InChIKeyHRJWBEZZPONXKM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.45
Rot. Bonds4

About 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56915558) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56915558
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOCC1CCN(Cc2cc3n(n2)CCNC3)C1
InChIInChI=1S/C13H22N4O/c1-18-10-11-2-4-16(8-11)9-12-6-13-7-14-3-5-17(13)15-12/h6,11,14H,2-5,7-10H2,1H3
InChIKeyHRJWBEZZPONXKM-UHFFFAOYSA-N
XLogP0.45
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56915558) is 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is COCC1CCN(Cc2cc3n(n2)CCNC3)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is HRJWBEZZPONXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-18-10-11-2-4-16(8-11)9-12-6-13-7-14-3-5-17(13)15-12/h6,11,14H,2-5,7-10H2,1H3.
What are the key properties of 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 250.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56915558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).