N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide

C19H23N5O3S — CID 166622045

IUPACN,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@H]1COC[C@H]1n1ccnc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C19H23N5O3S/c1-22(2)28(25,26)14-15-12-27-13-18(15)23-11-10-20-19(23)17-8-9-21-24(17)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyPGKQFYFSEICCOX-CRAIPNDOSA-N
MW401.49 g/mol
LogP1.81
Rot. Bonds6

About N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide (PubChem CID 166622045) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
PubChem CID166622045
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@H]1COC[C@H]1n1ccnc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C19H23N5O3S/c1-22(2)28(25,26)14-15-12-27-13-18(15)23-11-10-20-19(23)17-8-9-21-24(17)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyPGKQFYFSEICCOX-CRAIPNDOSA-N
XLogP1.81
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide (CID 166622045) is N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide is CN(C)S(=O)(=O)C[C@H]1COC[C@H]1n1ccnc1-c1ccnn1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
The InChIKey is PGKQFYFSEICCOX-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-22(2)28(25,26)14-15-12-27-13-18(15)23-11-10-20-19(23)17-8-9-21-24(17)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3R,4S)-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 166622045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).