2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C15H22N6 — CID 70719648

IUPAC2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1cn(CCN2CCCC2)c(-c2cc3n(n2)CCNC3)n1
InChIInChI=1S/C15H22N6/c1-2-6-19(5-1)9-10-20-7-4-17-15(20)14-11-13-12-16-3-8-21(13)18-14/h4,7,11,16H,1-3,5-6,8-10,12H2
InChIKeyTXKDAPHCEUHDNK-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.95
Rot. Bonds4

About 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 70719648) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID70719648
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1cn(CCN2CCCC2)c(-c2cc3n(n2)CCNC3)n1
InChIInChI=1S/C15H22N6/c1-2-6-19(5-1)9-10-20-7-4-17-15(20)14-11-13-12-16-3-8-21(13)18-14/h4,7,11,16H,1-3,5-6,8-10,12H2
InChIKeyTXKDAPHCEUHDNK-UHFFFAOYSA-N
XLogP0.95
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 70719648) is 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1cn(CCN2CCCC2)c(-c2cc3n(n2)CCNC3)n1.
What is the InChIKey of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is TXKDAPHCEUHDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-6-19(5-1)9-10-20-7-4-17-15(20)14-11-13-12-16-3-8-21(13)18-14/h4,7,11,16H,1-3,5-6,8-10,12H2.
What are the key properties of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 286.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 70719648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).