2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid

C11H18N4O4S — CID 102826316

IUPAC2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid
SMILESCS(=O)(=O)c1c(N2CCCCC2)nn(CC(=O)O)c1N
InChIInChI=1S/C11H18N4O4S/c1-20(18,19)9-10(12)15(7-8(16)17)13-11(9)14-5-3-2-4-6-14/h2-7,12H2,1H3,(H,16,17)
InChIKeySZXNGFFEWIQEKC-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.06
Rot. Bonds4

About 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid

2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid (PubChem CID 102826316) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid
PubChem CID102826316
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid
SMILESCS(=O)(=O)c1c(N2CCCCC2)nn(CC(=O)O)c1N
InChIInChI=1S/C11H18N4O4S/c1-20(18,19)9-10(12)15(7-8(16)17)13-11(9)14-5-3-2-4-6-14/h2-7,12H2,1H3,(H,16,17)
InChIKeySZXNGFFEWIQEKC-UHFFFAOYSA-N
XLogP-0.06
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-1-yl]acetic acid
CID 102826319
1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine
CID 102826038
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
1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
CID 102826141
1-methyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825511
1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825662
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
CID 102796625
1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
CID 102825657
1-butan-2-yl-4-methylsulfonyl-3-piperazin-1-ylpyrazol-5-amine
CID 102826070
3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine
CID 102825870

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid (CID 102826316) is 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid is CS(=O)(=O)c1c(N2CCCCC2)nn(CC(=O)O)c1N.
What is the InChIKey of 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid?
The InChIKey is SZXNGFFEWIQEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-20(18,19)9-10(12)15(7-8(16)17)13-11(9)14-5-3-2-4-6-14/h2-7,12H2,1H3,(H,16,17).
What are the key properties of 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid?
2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid has a molecular weight of 302.36 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 102826316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).