1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

C15H20N4O2S — CID 91775333

IUPAC1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCn2nc(C(C)O)cc2C1
InChIInChI=1S/C15H20N4O2S/c1-10-14(22-9-16-10)3-4-15(21)18-5-6-19-12(8-18)7-13(17-19)11(2)20/h7,9,11,20H,3-6,8H2,1-2H3
InChIKeyRHZOFLKFXMYTSR-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 91775333) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
PubChem CID91775333
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCn2nc(C(C)O)cc2C1
InChIInChI=1S/C15H20N4O2S/c1-10-14(22-9-16-10)3-4-15(21)18-5-6-19-12(8-18)7-13(17-19)11(2)20/h7,9,11,20H,3-6,8H2,1-2H3
InChIKeyRHZOFLKFXMYTSR-UHFFFAOYSA-N
XLogP1.68
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-2-yl)-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 91789134
5-[3-[2-[(1S)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 99994760
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367
4,4,4-trifluoro-1-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one
CID 90648288
3-[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-1-morpholin-4-ylpropan-1-one
CID 70725890
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 99998762
1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 70769325
3-[3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 91797624
3-[3-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 99998541
[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 90648536
(4-chloro-1-methylpyrazol-3-yl)-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 99998296
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 70745268

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (CID 91775333) is 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is Cc1ncsc1CCC(=O)N1CCn2nc(C(C)O)cc2C1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is RHZOFLKFXMYTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-14(22-9-16-10)3-4-15(21)18-5-6-19-12(8-18)7-13(17-19)11(2)20/h7,9,11,20H,3-6,8H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 320.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 91775333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).