(3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride

C10H19ClN4O3S — CID 154908322

IUPAC(3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](N)[C@H](O)C2)c(C)n1.Cl
InChIInChI=1S/C10H18N4O3S.ClH/c1-3-13-6-10(7(2)12-13)18(16,17)14-4-8(11)9(15)5-14;/h6,8-9,15H,3-5,11H2,1-2H3;1H/t8-,9-;/m1./s1
InChIKeyWOESAVRFQQNFHA-VTLYIQCISA-N
MW310.81 g/mol
LogP-0.67
Rot. Bonds3

About (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride

(3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride (PubChem CID 154908322) has the molecular formula C10H19ClN4O3S and a molecular weight of 310.81 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride
PubChem CID154908322
Molecular FormulaC10H19ClN4O3S
Molecular Weight310.81 g/mol
Exact Mass310.09
IUPAC Name(3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride
SMILESCCn1cc(S(=O)(=O)N2C[C@@H](N)[C@H](O)C2)c(C)n1.Cl
InChIInChI=1S/C10H18N4O3S.ClH/c1-3-13-6-10(7(2)12-13)18(16,17)14-4-8(11)9(15)5-14;/h6,8-9,15H,3-5,11H2,1-2H3;1H/t8-,9-;/m1./s1
InChIKeyWOESAVRFQQNFHA-VTLYIQCISA-N
XLogP-0.67
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17301236
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 4776817
(3S)-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 27527792
ethane;1-ethyl-3-methyl-4-methylsulfonylpyrazole
CID 177232884
cyclobutyl-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 138386749
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 17022331
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023425
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023494
(4-chloro-1H-pyrazol-5-yl)-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19514739

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride (CID 154908322) is (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride is CCn1cc(S(=O)(=O)N2C[C@@H](N)[C@H](O)C2)c(C)n1.Cl.
What is the InChIKey of (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride?
The InChIKey is WOESAVRFQQNFHA-VTLYIQCISA-N. The full InChI is InChI=1S/C10H18N4O3S.ClH/c1-3-13-6-10(7(2)12-13)18(16,17)14-4-8(11)9(15)5-14;/h6,8-9,15H,3-5,11H2,1-2H3;1H/t8-,9-;/m1./s1.
What are the key properties of (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride?
(3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride has a molecular weight of 310.81 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 154908322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).