N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide

C12H16N4O2S — CID 79503163

IUPACN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide
SMILESCn1ncc(CN)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-16-12(11(7-13)8-14-16)15-19(17,18)9-10-5-3-2-4-6-10/h2-6,8,15H,7,9,13H2,1H3
InChIKeyNMEJUJDEURTPRU-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.82
Rot. Bonds5

About N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide

N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide (PubChem CID 79503163) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide
PubChem CID79503163
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide
SMILESCn1ncc(CN)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-16-12(11(7-13)8-14-16)15-19(17,18)9-10-5-3-2-4-6-10/h2-6,8,15H,7,9,13H2,1H3
InChIKeyNMEJUJDEURTPRU-UHFFFAOYSA-N
XLogP0.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide (CID 79503163) is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide is Cn1ncc(CN)c1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide?
The InChIKey is NMEJUJDEURTPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-12(11(7-13)8-14-16)15-19(17,18)9-10-5-3-2-4-6-10/h2-6,8,15H,7,9,13H2,1H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide?
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 79503163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).