N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide

C18H23N5O2S — CID 50952711

IUPACN-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
SMILESCCn1ccc(-c2c(-c3ccccc3)ncn2CCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C18H23N5O2S/c1-4-23-11-10-16(20-23)18-17(15-8-6-5-7-9-15)19-14-22(18)13-12-21(2)26(3,24)25/h5-11,14H,4,12-13H2,1-3H3
InChIKeyGFZAAEBPTLLOGZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.32
Rot. Bonds7

About N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide

N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide (PubChem CID 50952711) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
PubChem CID50952711
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
SMILESCCn1ccc(-c2c(-c3ccccc3)ncn2CCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C18H23N5O2S/c1-4-23-11-10-16(20-23)18-17(15-8-6-5-7-9-15)19-14-22(18)13-12-21(2)26(3,24)25/h5-11,14H,4,12-13H2,1-3H3
InChIKeyGFZAAEBPTLLOGZ-UHFFFAOYSA-N
XLogP2.32
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide (CID 50952711) is N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide is CCn1ccc(-c2c(-c3ccccc3)ncn2CCN(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The InChIKey is GFZAAEBPTLLOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-4-23-11-10-16(20-23)18-17(15-8-6-5-7-9-15)19-14-22(18)13-12-21(2)26(3,24)25/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 50952711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).