N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

C15H26N4O3S — CID 133124038

IUPACN-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H]2CN(CCO)C[C@H]2C2CC2)cn1
InChIInChI=1S/C15H26N4O3S/c1-2-5-19-9-13(8-16-19)23(21,22)17-15-11-18(6-7-20)10-14(15)12-3-4-12/h8-9,12,14-15,17,20H,2-7,10-11H2,1H3/t14-,15+/m0/s1
InChIKeyUMVSPBXRXYGXPY-LSDHHAIUSA-N
MW342.47 g/mol
LogP0.27
Rot. Bonds8

About N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (PubChem CID 133124038) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
PubChem CID133124038
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H]2CN(CCO)C[C@H]2C2CC2)cn1
InChIInChI=1S/C15H26N4O3S/c1-2-5-19-9-13(8-16-19)23(21,22)17-15-11-18(6-7-20)10-14(15)12-3-4-12/h8-9,12,14-15,17,20H,2-7,10-11H2,1H3/t14-,15+/m0/s1
InChIKeyUMVSPBXRXYGXPY-LSDHHAIUSA-N
XLogP0.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114551690
N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106076162
(3aR,5S,6S,7aS)-2-(1-propylpyrazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56899644
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664
1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 106002630
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 64909962
3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216274
1-(2-aminoethyl)-N-(2,3-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106060239
1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
CID 106069166
3-[4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 80716018
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (CID 133124038) is N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@@H]2CN(CCO)C[C@H]2C2CC2)cn1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is UMVSPBXRXYGXPY-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-5-19-9-13(8-16-19)23(21,22)17-15-11-18(6-7-20)10-14(15)12-3-4-12/h8-9,12,14-15,17,20H,2-7,10-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 133124038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).