N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide

C11H14N4O2S — CID 117419923

IUPACN-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(-c2cn[nH]c2N)c1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-15(18(2,16)17)9-5-3-4-8(6-9)10-7-13-14-11(10)12/h3-7H,1-2H3,(H3,12,13,14)
InChIKeyBWZCLIUJEPCWCX-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.05
Rot. Bonds3

About N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide

N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 117419923) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
PubChem CID117419923
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(-c2cn[nH]c2N)c1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O2S/c1-15(18(2,16)17)9-5-3-4-8(6-9)10-7-13-14-11(10)12/h3-7H,1-2H3,(H3,12,13,14)
InChIKeyBWZCLIUJEPCWCX-UHFFFAOYSA-N
XLogP1.05
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417
N-[3-(3-amino-1,2-oxazol-5-yl)phenyl]-N-methylmethanesulfonamide
CID 117421444
4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
CID 117331143
5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 107733444
4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117432033
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one
CID 117354732
3-[3-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117477482
4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117328775
4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
CID 117346326
4-[3-(1,1-dioxothietan-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117447689
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (CID 117419923) is N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is CN(c1cccc(-c2cn[nH]c2N)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is BWZCLIUJEPCWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15(18(2,16)17)9-5-3-4-8(6-9)10-7-13-14-11(10)12/h3-7H,1-2H3,(H3,12,13,14).
What are the key properties of N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 117419923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).