N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide

C10H19N3O2S — CID 22207904

IUPACN-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccnn1CC
InChIInChI=1S/C10H19N3O2S/c1-3-5-8-16(14,15)12-9-10-6-7-11-13(10)4-2/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyNNAOIGVZHSIJNO-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.12
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide

N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide (PubChem CID 22207904) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide
PubChem CID22207904
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccnn1CC
InChIInChI=1S/C10H19N3O2S/c1-3-5-8-16(14,15)12-9-10-6-7-11-13(10)4-2/h6-7,12H,3-5,8-9H2,1-2H3
InChIKeyNNAOIGVZHSIJNO-UHFFFAOYSA-N
XLogP1.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)methanesulfonic acid
CID 175919562
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
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1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 22207915
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
CID 63302413
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline
CID 114555359
methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
CID 115924194
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butane-1-sulfonamide
CID 90569737
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide
CID 22209301
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide (CID 22207904) is N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide?
The InChIKey is NNAOIGVZHSIJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-5-8-16(14,15)12-9-10-6-7-11-13(10)4-2/h6-7,12H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide?
N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 22207904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).