2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol

C11H20N4O3S — CID 102825419

IUPAC2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
SMILESCC(Nc1nn(CCO)c(N)c1S(C)(=O)=O)C1CC1
InChIInChI=1S/C11H20N4O3S/c1-7(8-3-4-8)13-11-9(19(2,17)18)10(12)15(14-11)5-6-16/h7-8,16H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyKKUQGBKKJRDEJB-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.07
Rot. Bonds6

About 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol

2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol (PubChem CID 102825419) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
PubChem CID102825419
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
SMILESCC(Nc1nn(CCO)c(N)c1S(C)(=O)=O)C1CC1
InChIInChI=1S/C11H20N4O3S/c1-7(8-3-4-8)13-11-9(19(2,17)18)10(12)15(14-11)5-6-16/h7-8,16H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyKKUQGBKKJRDEJB-UHFFFAOYSA-N
XLogP0.07
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol
CID 102825420
2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol
CID 102825417
2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825422
methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
CID 102808792
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825444
1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
CID 102825977
1-butyl-3-N-(2-methylpropyl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826037
2-[5-amino-3-(1-cyclopropylethylamino)-4-methoxycarbonylpyrazol-1-yl]acetic acid
CID 102809099
1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826188
2-[5-amino-3-(cyclohexylamino)-4-methylsulfonylpyrazol-1-yl]acetic acid
CID 102826301
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine
CID 102825873

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol (CID 102825419) is 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol is CC(Nc1nn(CCO)c(N)c1S(C)(=O)=O)C1CC1.
What is the InChIKey of 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol?
The InChIKey is KKUQGBKKJRDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-7(8-3-4-8)13-11-9(19(2,17)18)10(12)15(14-11)5-6-16/h7-8,16H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol?
2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol has a molecular weight of 288.37 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol is sourced from PubChem (CID 102825419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).