N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide

C16H23N5O2S — CID 146105041

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C16H23N5O2S/c1-19-7-9-21(10-8-19)24(22,23)18-12-16-11-17-20(14-16)13-15-5-3-2-4-6-15/h2-6,11,14,18H,7-10,12-13H2,1H3
InChIKeyWGAADERFDGDXNF-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.51
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide

N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide (PubChem CID 146105041) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide
PubChem CID146105041
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C16H23N5O2S/c1-19-7-9-21(10-8-19)24(22,23)18-12-16-11-17-20(14-16)13-15-5-3-2-4-6-15/h2-6,11,14,18H,7-10,12-13H2,1H3
InChIKeyWGAADERFDGDXNF-UHFFFAOYSA-N
XLogP0.51
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 87007514
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 86776302
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-benzylpiperidine-1-sulfonamide
CID 2989594
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 122198913
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 31080299
N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353122

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide (CID 146105041) is N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)NCc2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide?
The InChIKey is WGAADERFDGDXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-19-7-9-21(10-8-19)24(22,23)18-12-16-11-17-20(14-16)13-15-5-3-2-4-6-15/h2-6,11,14,18H,7-10,12-13H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide?
N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 146105041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).