N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

C11H17N5O2S — CID 29090600

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cnn(C)c2)cn1
InChIInChI=1S/C11H17N5O2S/c1-4-16-8-10(5-13-16)7-15(3)19(17,18)11-6-12-14(2)9-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyKLVJCSZKJXDPFJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.46
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 29090600) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID29090600
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cnn(C)c2)cn1
InChIInChI=1S/C11H17N5O2S/c1-4-16-8-10(5-13-16)7-15(3)19(17,18)11-6-12-14(2)9-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyKLVJCSZKJXDPFJ-UHFFFAOYSA-N
XLogP0.46
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204130
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 22204132
4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204133
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090602
N-[[3-(aminomethyl)phenyl]methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 62062762
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
3-amino-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 63322968
4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981
4-bromo-3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103697227
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 39794990

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 29090600) is N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is CCn1cc(CN(C)S(=O)(=O)c2cnn(C)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is KLVJCSZKJXDPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-16-8-10(5-13-16)7-15(3)19(17,18)11-6-12-14(2)9-11/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29090600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).