2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C16H25N5OS — CID 91764592

IUPAC2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1nc(C)c(CN2CCn3nc(C(O)CN(C)C)cc3C2)s1
InChIInChI=1S/C16H25N5OS/c1-11-16(23-12(2)17-11)10-20-5-6-21-13(8-20)7-14(18-21)15(22)9-19(3)4/h7,15,22H,5-6,8-10H2,1-4H3
InChIKeyQXPOOYHYBZYCAQ-UHFFFAOYSA-N
MW335.48 g/mol
LogP1.57
Rot. Bonds5

About 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 91764592) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID91764592
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1nc(C)c(CN2CCn3nc(C(O)CN(C)C)cc3C2)s1
InChIInChI=1S/C16H25N5OS/c1-11-16(23-12(2)17-11)10-20-5-6-21-13(8-20)7-14(18-21)15(22)9-19(3)4/h7,15,22H,5-6,8-10H2,1-4H3
InChIKeyQXPOOYHYBZYCAQ-UHFFFAOYSA-N
XLogP1.57
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 91764592) is 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is Cc1nc(C)c(CN2CCn3nc(C(O)CN(C)C)cc3C2)s1.
What is the InChIKey of 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is QXPOOYHYBZYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-11-16(23-12(2)17-11)10-20-5-6-21-13(8-20)7-14(18-21)15(22)9-19(3)4/h7,15,22H,5-6,8-10H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 335.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 91764592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).