N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide

C10H16N4O4S — CID 110133177

IUPACN-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O
InChIInChI=1S/C10H16N4O4S/c1-19(17,18)12-8-5-13(6-9(8)15)10(16)7-14-4-2-3-11-14/h2-4,8-9,12,15H,5-7H2,1H3/t8-,9-/m1/s1
InChIKeyGCIKRLVEPVSUSO-RKDXNWHRSA-N
MW288.33 g/mol
LogP-2.00
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 110133177) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID110133177
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O
InChIInChI=1S/C10H16N4O4S/c1-19(17,18)12-8-5-13(6-9(8)15)10(16)7-14-4-2-3-11-14/h2-4,8-9,12,15H,5-7H2,1H3/t8-,9-/m1/s1
InChIKeyGCIKRLVEPVSUSO-RKDXNWHRSA-N
XLogP-2.00
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide (CID 110133177) is N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is GCIKRLVEPVSUSO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-19(17,18)12-8-5-13(6-9(8)15)10(16)7-14-4-2-3-11-14/h2-4,8-9,12,15H,5-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of -2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 110133177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).