2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C19H20N8 — CID 95872827

IUPAC2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESC[C@H](c1ccc(-n2cncn2)cc1)n1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C19H20N8/c1-14(15-2-4-16(5-3-15)27-13-21-12-23-27)25-8-7-22-19(25)18-10-17-11-20-6-9-26(17)24-18/h2-5,7-8,10,12-14,20H,6,9,11H2,1H3/t14-/m1/s1
InChIKeyNZZTUZUMBPJONJ-CQSZACIVSA-N
MW360.43 g/mol
LogP2.04
Rot. Bonds4

About 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 95872827) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID95872827
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESC[C@H](c1ccc(-n2cncn2)cc1)n1ccnc1-c1cc2n(n1)CCNC2
InChIInChI=1S/C19H20N8/c1-14(15-2-4-16(5-3-15)27-13-21-12-23-27)25-8-7-22-19(25)18-10-17-11-20-6-9-26(17)24-18/h2-5,7-8,10,12-14,20H,6,9,11H2,1H3/t14-/m1/s1
InChIKeyNZZTUZUMBPJONJ-CQSZACIVSA-N
XLogP2.04
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 95872827) is 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is C[C@H](c1ccc(-n2cncn2)cc1)n1ccnc1-c1cc2n(n1)CCNC2.
What is the InChIKey of 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is NZZTUZUMBPJONJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N8/c1-14(15-2-4-16(5-3-15)27-13-21-12-23-27)25-8-7-22-19(25)18-10-17-11-20-6-9-26(17)24-18/h2-5,7-8,10,12-14,20H,6,9,11H2,1H3/t14-/m1/s1.
What are the key properties of 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 360.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 95872827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).