N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide

C14H21N5O3S — CID 110127246

IUPACN-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O
InChIInChI=1S/C14H21N5O3S/c1-9-13(8-18(3)16-9)23(21,22)17-11-4-5-12(14(11)20)19-7-6-15-10(19)2/h6-8,11-12,14,17,20H,4-5H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyBGZLMDCRVLXYNB-YRGRVCCFSA-N
MW339.42 g/mol
LogP0.28
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 110127246) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID110127246
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O
InChIInChI=1S/C14H21N5O3S/c1-9-13(8-18(3)16-9)23(21,22)17-11-4-5-12(14(11)20)19-7-6-15-10(19)2/h6-8,11-12,14,17,20H,4-5H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyBGZLMDCRVLXYNB-YRGRVCCFSA-N
XLogP0.28
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 110127246) is N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is BGZLMDCRVLXYNB-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-9-13(8-18(3)16-9)23(21,22)17-11-4-5-12(14(11)20)19-7-6-15-10(19)2/h6-8,11-12,14,17,20H,4-5H2,1-3H3/t11-,12-,14-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 110127246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).