(1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C15H17ClFN3O3S — CID 99989612

IUPAC(1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESC[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2
InChIInChI=1S/C15H17ClFN3O3S/c1-10(21)15-7-13-8-19(4-5-20(13)18-15)24(22,23)9-11-6-12(17)2-3-14(11)16/h2-3,6-7,10,21H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyHJXIQZYDEXXEED-SNVBAGLBSA-N
MW373.84 g/mol
LogP2.07
Rot. Bonds4

About (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

(1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 99989612) has the molecular formula C15H17ClFN3O3S and a molecular weight of 373.84 g/mol. Its IUPAC name is (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID99989612
Molecular FormulaC15H17ClFN3O3S
Molecular Weight373.84 g/mol
Exact Mass373.07
IUPAC Name(1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESC[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2
InChIInChI=1S/C15H17ClFN3O3S/c1-10(21)15-7-13-8-19(4-5-20(13)18-15)24(22,23)9-11-6-12(17)2-3-14(11)16/h2-3,6-7,10,21H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyHJXIQZYDEXXEED-SNVBAGLBSA-N
XLogP2.07
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91760668
(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid
CID 166242064
3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 90650539
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 91769877
N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 99971957
2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 99978225
1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine
CID 53415405
5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide
CID 91762643
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 92673376
2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
1-[4-[(2-chlorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796931
1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 91778732

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 99989612) is (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is C[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2.
What is the InChIKey of (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is HJXIQZYDEXXEED-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17ClFN3O3S/c1-10(21)15-7-13-8-19(4-5-20(13)18-15)24(22,23)9-11-6-12(17)2-3-14(11)16/h2-3,6-7,10,21H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
(1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 373.84 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 99989612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).