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

C16H17N5S — CID 70773176

IUPAC2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCSc1ccc(-n2ccnc2-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C16H17N5S/c1-22-14-4-2-12(3-5-14)20-8-7-18-16(20)15-10-13-11-17-6-9-21(13)19-15/h2-5,7-8,10,17H,6,9,11H2,1H3
InChIKeyCDVQXSNHJQIYJU-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.56
Rot. Bonds3

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

2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 70773176) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID70773176
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCSc1ccc(-n2ccnc2-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C16H17N5S/c1-22-14-4-2-12(3-5-14)20-8-7-18-16(20)15-10-13-11-17-6-9-21(13)19-15/h2-5,7-8,10,17H,6,9,11H2,1H3
InChIKeyCDVQXSNHJQIYJU-UHFFFAOYSA-N
XLogP2.56
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 70773176) is 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CSc1ccc(-n2ccnc2-c2cc3n(n2)CCNC3)cc1.
What is the InChIKey of 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is CDVQXSNHJQIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-22-14-4-2-12(3-5-14)20-8-7-18-16(20)15-10-13-11-17-6-9-21(13)19-15/h2-5,7-8,10,17H,6,9,11H2,1H3.
What are the key properties of 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 311.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 70773176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).