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

C13H18N4OS — CID 99973541

IUPAC(1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESC[C@@H](O)c1cc2n(n1)CCN(CCc1cscn1)C2
InChIInChI=1S/C13H18N4OS/c1-10(18)13-6-12-7-16(4-5-17(12)15-13)3-2-11-8-19-9-14-11/h6,8-10,18H,2-5,7H2,1H3/t10-/m1/s1
InChIKeySBKNOVFVRWBGLJ-SNVBAGLBSA-N
MW278.38 g/mol
LogP1.45
Rot. Bonds4

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

(1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 99973541) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID99973541
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name(1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESC[C@@H](O)c1cc2n(n1)CCN(CCc1cscn1)C2
InChIInChI=1S/C13H18N4OS/c1-10(18)13-6-12-7-16(4-5-17(12)15-13)3-2-11-8-19-9-14-11/h6,8-10,18H,2-5,7H2,1H3/t10-/m1/s1
InChIKeySBKNOVFVRWBGLJ-SNVBAGLBSA-N
XLogP1.45
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 99973541) is (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is C[C@@H](O)c1cc2n(n1)CCN(CCc1cscn1)C2.
What is the InChIKey of (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is SBKNOVFVRWBGLJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10(18)13-6-12-7-16(4-5-17(12)15-13)3-2-11-8-19-9-14-11/h6,8-10,18H,2-5,7H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
(1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 278.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 99973541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).