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

C11H21N5O3S — CID 102825444

IUPAC2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1c(N2CCCC(N)C2)nn(CCO)c1N
InChIInChI=1S/C11H21N5O3S/c1-20(18,19)9-10(13)16(5-6-17)14-11(9)15-4-2-3-8(12)7-15/h8,17H,2-7,12-13H2,1H3
InChIKeyMGSCRMGJZJZMSM-UHFFFAOYSA-N
MW303.39 g/mol
LogP-1.21
Rot. Bonds4

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

2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol (PubChem CID 102825444) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
PubChem CID102825444
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
SMILESCS(=O)(=O)c1c(N2CCCC(N)C2)nn(CCO)c1N
InChIInChI=1S/C11H21N5O3S/c1-20(18,19)9-10(13)16(5-6-17)14-11(9)15-4-2-3-8(12)7-15/h8,17H,2-7,12-13H2,1H3
InChIKeyMGSCRMGJZJZMSM-UHFFFAOYSA-N
XLogP-1.21
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825422
1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine
CID 102826038
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 102795311
2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid
CID 102826316
5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
CID 102795329
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796652
2-[5-amino-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-1-yl]acetic acid
CID 102826319
2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825419
2-[5-amino-4-methylsulfonyl-3-(piperidin-4-ylamino)pyrazol-1-yl]ethanol
CID 102825420
5-amino-3-(3-hydroxypiperidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796673
2-[5-amino-4-methylsulfonyl-3-(pyrrolidin-3-ylamino)pyrazol-1-yl]ethanol
CID 102825417
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
CID 102796625

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol (CID 102825444) is 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol is CS(=O)(=O)c1c(N2CCCC(N)C2)nn(CCO)c1N.
What is the InChIKey of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
The InChIKey is MGSCRMGJZJZMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-20(18,19)9-10(13)16(5-6-17)14-11(9)15-4-2-3-8(12)7-15/h8,17H,2-7,12-13H2,1H3.
What are the key properties of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol?
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol has a molecular weight of 303.39 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol is sourced from PubChem (CID 102825444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).