5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol

C10H18N4O3S — CID 66052749

IUPAC5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-13(2)6-8-3-9(15)7-14(8)18(16,17)10-4-11-12-5-10/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyCWEPCEFEEFODOK-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.90
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol (PubChem CID 66052749) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol
PubChem CID66052749
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-13(2)6-8-3-9(15)7-14(8)18(16,17)10-4-11-12-5-10/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyCWEPCEFEEFODOK-UHFFFAOYSA-N
XLogP-0.90
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol (CID 66052749) is 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol?
The InChIKey is CWEPCEFEEFODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-13(2)6-8-3-9(15)7-14(8)18(16,17)10-4-11-12-5-10/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,11,12).
What are the key properties of 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol has a molecular weight of 274.35 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 66052749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).