3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid

C12H19N3O5S — CID 107216274

IUPAC3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cn1
InChIInChI=1S/C12H19N3O5S/c16-11-4-2-1-3-10(11)14-21(19,20)9-7-13-15(8-9)6-5-12(17)18/h7-8,10-11,14,16H,1-6H2,(H,17,18)/t10-,11-/m1/s1
InChIKeyRFXHKDZBFOMRLL-GHMZBOCLSA-N
MW317.37 g/mol
LogP-0.06
Rot. Bonds6

About 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 107216274) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID107216274
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cn1
InChIInChI=1S/C12H19N3O5S/c16-11-4-2-1-3-10(11)14-21(19,20)9-7-13-15(8-9)6-5-12(17)18/h7-8,10-11,14,16H,1-6H2,(H,17,18)/t10-,11-/m1/s1
InChIKeyRFXHKDZBFOMRLL-GHMZBOCLSA-N
XLogP-0.06
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 80716018
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CID 83229001
3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 80717554
3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513624
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CID 63994050
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43541006
3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43568411
3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 106019277
2-[4-[(2-prop-2-enylcyclohexyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 139014302
3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 106209137
2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 64909962

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid (CID 107216274) is 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cn1.
What is the InChIKey of 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is RFXHKDZBFOMRLL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19N3O5S/c16-11-4-2-1-3-10(11)14-21(19,20)9-7-13-15(8-9)6-5-12(17)18/h7-8,10-11,14,16H,1-6H2,(H,17,18)/t10-,11-/m1/s1.
What are the key properties of 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 317.37 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 107216274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).