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

C17H22N4O2S — CID 91768410

IUPAC1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCn3nc(C(O)C4CC4)cc3C2)c(C)s1
InChIInChI=1S/C17H22N4O2S/c1-10-14(18-11(2)24-10)8-16(22)20-5-6-21-13(9-20)7-15(19-21)17(23)12-3-4-12/h7,12,17,23H,3-6,8-9H2,1-2H3
InChIKeyHBFMAKXQEOGQNH-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.98
Rot. Bonds4

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

1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone (PubChem CID 91768410) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone
PubChem CID91768410
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCn3nc(C(O)C4CC4)cc3C2)c(C)s1
InChIInChI=1S/C17H22N4O2S/c1-10-14(18-11(2)24-10)8-16(22)20-5-6-21-13(9-20)7-15(19-21)17(23)12-3-4-12/h7,12,17,23H,3-6,8-9H2,1-2H3
InChIKeyHBFMAKXQEOGQNH-UHFFFAOYSA-N
XLogP1.98
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone (CID 91768410) is 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCn3nc(C(O)C4CC4)cc3C2)c(C)s1.
What is the InChIKey of 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is HBFMAKXQEOGQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-14(18-11(2)24-10)8-16(22)20-5-6-21-13(9-20)7-15(19-21)17(23)12-3-4-12/h7,12,17,23H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone?
1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 346.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 91768410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).