2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

C17H20ClN5 — CID 154893483

IUPAC2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCCc1cccc(-n2ccnc2-c2cc3n(n2)CCNC3)c1.Cl
InChIInChI=1S/C17H19N5.ClH/c1-2-13-4-3-5-14(10-13)21-8-7-19-17(21)16-11-15-12-18-6-9-22(15)20-16;/h3-5,7-8,10-11,18H,2,6,9,12H2,1H3;1H
InChIKeyJGXLJEMMGKERTE-UHFFFAOYSA-N
MW329.84 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 154893483) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
PubChem CID154893483
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC Name2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCCc1cccc(-n2ccnc2-c2cc3n(n2)CCNC3)c1.Cl
InChIInChI=1S/C17H19N5.ClH/c1-2-13-4-3-5-14(10-13)21-8-7-19-17(21)16-11-15-12-18-6-9-22(15)20-16;/h3-5,7-8,10-11,18H,2,6,9,12H2,1H3;1H
InChIKeyJGXLJEMMGKERTE-UHFFFAOYSA-N
XLogP2.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70765573
2-[1-(9H-fluoren-2-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154894546
2-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]phenyl]-1,3,4-thiadiazole
CID 70754023
2-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70732336
2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56918787
6-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 154894085
1-[2-methyl-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 154894027
2-[1-[2-(2-pyridin-2-ylethyl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70775906
2-[1-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70759636
2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56883632
methyl 4-methoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]benzoate
CID 70781917
N-phenyl-5-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyridin-2-amine;hydrochloride
CID 154894176

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (CID 154893483) is 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is CCc1cccc(-n2ccnc2-c2cc3n(n2)CCNC3)c1.Cl.
What is the InChIKey of 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is JGXLJEMMGKERTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.ClH/c1-2-13-4-3-5-14(10-13)21-8-7-19-17(21)16-11-15-12-18-6-9-22(15)20-16;/h3-5,7-8,10-11,18H,2,6,9,12H2,1H3;1H.
What are the key properties of 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 329.84 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 154893483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).