5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

C10H15N3O5S — CID 54934357

IUPAC5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O5S/c14-6-7-1-3-13(4-2-7)19(17,18)9-8(10(15)16)5-11-12-9/h5,7,14H,1-4,6H2,(H,11,12)(H,15,16)
InChIKeyRTCOCXWVUUIAFP-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.50
Rot. Bonds4

About 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 54934357) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID54934357
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O5S/c14-6-7-1-3-13(4-2-7)19(17,18)9-8(10(15)16)5-11-12-9/h5,7,14H,1-4,6H2,(H,11,12)(H,15,16)
InChIKeyRTCOCXWVUUIAFP-UHFFFAOYSA-N
XLogP-0.50
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 61402961
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 63158855
5-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 62988685
ethyl 5-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 60910759
5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 114408294
5-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid
CID 63002352
ethyl 5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate;hydrochloride
CID 119990366
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 62469033
5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60951312
5-(4-methyl-3-oxopiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 64680693
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60950937
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 71794413

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (CID 54934357) is 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is RTCOCXWVUUIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-6-7-1-3-13(4-2-7)19(17,18)9-8(10(15)16)5-11-12-9/h5,7,14H,1-4,6H2,(H,11,12)(H,15,16).
What are the key properties of 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54934357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).