N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide

C13H18N4O2S — CID 90036823

IUPACN-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide
SMILESCN(CC(c1ccccc1)n1cc(N)cn1)S(C)(=O)=O
InChIInChI=1S/C13H18N4O2S/c1-16(20(2,18)19)10-13(11-6-4-3-5-7-11)17-9-12(14)8-15-17/h3-9,13H,10,14H2,1-2H3
InChIKeyZDLXAQPDJWXPMB-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.95
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide

N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide (PubChem CID 90036823) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide
PubChem CID90036823
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide
SMILESCN(CC(c1ccccc1)n1cc(N)cn1)S(C)(=O)=O
InChIInChI=1S/C13H18N4O2S/c1-16(20(2,18)19)10-13(11-6-4-3-5-7-11)17-9-12(14)8-15-17/h3-9,13H,10,14H2,1-2H3
InChIKeyZDLXAQPDJWXPMB-UHFFFAOYSA-N
XLogP0.95
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide (CID 90036823) is N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide is CN(CC(c1ccccc1)n1cc(N)cn1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide?
The InChIKey is ZDLXAQPDJWXPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16(20(2,18)19)10-13(11-6-4-3-5-7-11)17-9-12(14)8-15-17/h3-9,13H,10,14H2,1-2H3.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide?
N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 90036823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).