N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide

C13H15N5O2S — CID 79529172

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
SMILESCn1ncc(CNS(=O)(=O)Cc2ccccc2C#N)c1N
InChIInChI=1S/C13H15N5O2S/c1-18-13(15)12(7-16-18)8-17-21(19,20)9-11-5-3-2-4-10(11)6-14/h2-5,7,17H,8-9,15H2,1H3
InChIKeyFHQIQYCMUCAPQJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.49
Rot. Bonds5

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide (PubChem CID 79529172) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
PubChem CID79529172
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
SMILESCn1ncc(CNS(=O)(=O)Cc2ccccc2C#N)c1N
InChIInChI=1S/C13H15N5O2S/c1-18-13(15)12(7-16-18)8-17-21(19,20)9-11-5-3-2-4-10(11)6-14/h2-5,7,17H,8-9,15H2,1H3
InChIKeyFHQIQYCMUCAPQJ-UHFFFAOYSA-N
XLogP0.49
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide (CID 79529172) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide is Cn1ncc(CNS(=O)(=O)Cc2ccccc2C#N)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide?
The InChIKey is FHQIQYCMUCAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-18-13(15)12(7-16-18)8-17-21(19,20)9-11-5-3-2-4-10(11)6-14/h2-5,7,17H,8-9,15H2,1H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 79529172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).