1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide

C12H16N4O2S — CID 60807993

IUPAC1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1ccc(NS(=O)(=O)Cc2ccc(CN)cc2)n1
InChIInChI=1S/C12H16N4O2S/c1-16-7-6-12(14-16)15-19(17,18)9-11-4-2-10(8-13)3-5-11/h2-7H,8-9,13H2,1H3,(H,14,15)
InChIKeyJVPVFYVQTPLOSA-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.82
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide (PubChem CID 60807993) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
PubChem CID60807993
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1ccc(NS(=O)(=O)Cc2ccc(CN)cc2)n1
InChIInChI=1S/C12H16N4O2S/c1-16-7-6-12(14-16)15-19(17,18)9-11-4-2-10(8-13)3-5-11/h2-7H,8-9,13H2,1H3,(H,14,15)
InChIKeyJVPVFYVQTPLOSA-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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Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
1-(4-Methylbenzyl)-1H-pyrazol-3-amine
CID 571039
N-({1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-1-phenylmethanesulfonamide
CID 16187896
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
4-[(3-Aminopyrazol-1-yl)methyl]benzonitrile
CID 60783096
N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 4769076
N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 17022617
N-[1-(3-chlorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 17022658
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
N-[1-(3-chlorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022849
{1-[(2-Chloro-6-fluorophenyl)methyl]pyrazol-3-yl}(ethylsulfonyl)amine
CID 17374646
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582053

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide (CID 60807993) is 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide is Cn1ccc(NS(=O)(=O)Cc2ccc(CN)cc2)n1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide?
The InChIKey is JVPVFYVQTPLOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-7-6-12(14-16)15-19(17,18)9-11-4-2-10(8-13)3-5-11/h2-7H,8-9,13H2,1H3,(H,14,15).
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide 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 1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 60807993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).