2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol

C10H19N5O3S — CID 102825417

IUPAC2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1c(NC2CCNC2)nn(CCO)c1N
InChIInChI=1S/C10H19N5O3S/c1-19(17,18)8-9(11)15(4-5-16)14-10(8)13-7-2-3-12-6-7/h7,12,16H,2-6,11H2,1H3,(H,13,14)
InChIKeyGDEAKMDLIVSWLB-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.37
Rot. Bonds5

About 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol

2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol (PubChem CID 102825417) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol
PubChem CID102825417
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1c(NC2CCNC2)nn(CCO)c1N
InChIInChI=1S/C10H19N5O3S/c1-19(17,18)8-9(11)15(4-5-16)14-10(8)13-7-2-3-12-6-7/h7,12,16H,2-6,11H2,1H3,(H,13,14)
InChIKeyGDEAKMDLIVSWLB-UHFFFAOYSA-N
XLogP-1.37
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol
CID 102825420
2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825419
2-[5-amino-3-(cyclohexylamino)-4-methylsulfonylpyrazol-1-yl]acetic acid
CID 102826301
2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825422
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825444
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
CID 102826212
3,5,6-trimethyl-2-N-[(3S)-pyrrolidin-3-yl]pyridine-2,4-diamine
CID 67444947
1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826188
3-N-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102825401
1-butyl-3-N-(2-methylpropyl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826037
1-[3-amino-4-methylsulfonyl-5-(piperidin-4-ylamino)thiophen-2-yl]propan-1-one
CID 103525531

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol (CID 102825417) is 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol is CS(=O)(=O)c1c(NC2CCNC2)nn(CCO)c1N.
What is the InChIKey of 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol?
The InChIKey is GDEAKMDLIVSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-19(17,18)8-9(11)15(4-5-16)14-10(8)13-7-2-3-12-6-7/h7,12,16H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol?
2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol has a molecular weight of 289.36 g/mol, XLogP of -1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 102825417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).