2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C13H15N3 — CID 118048244

IUPAC2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(Cc2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C13H15N3/c1-2-4-11(5-3-1)8-12-9-13-10-14-6-7-16(13)15-12/h1-5,9,14H,6-8,10H2
InChIKeyNNZVBMAVXWCRFD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.58
Rot. Bonds2

About 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 118048244) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID118048244
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(Cc2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C13H15N3/c1-2-4-11(5-3-1)8-12-9-13-10-14-6-7-16(13)15-12/h1-5,9,14H,6-8,10H2
InChIKeyNNZVBMAVXWCRFD-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83694497
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154895925
N-ethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 129415771
N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine
CID 56901570
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 70736280
2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56888635
5-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 74238439
2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 84670414
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154893547
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
CID 154892757
(3S)-3-(4-fluorophenyl)-3-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 97455358
5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70777947

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 118048244) is 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1ccc(Cc2cc3n(n2)CCNC3)cc1.
What is the InChIKey of 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is NNZVBMAVXWCRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-4-11(5-3-1)8-12-9-13-10-14-6-7-16(13)15-12/h1-5,9,14H,6-8,10H2.
What are the key properties of 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 213.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118048244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).