N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide

C10H17N3O3S — CID 71978358

IUPACN-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)CC(C)C)cn1
InChIInChI=1S/C10H17N3O3S/c1-4-13-7-9(6-11-13)17(15,16)12-10(14)5-8(2)3/h6-8H,4-5H2,1-3H3,(H,12,14)
InChIKeyQRSYPQPCYCHDPQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.75
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide

N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide (PubChem CID 71978358) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
PubChem CID71978358
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
SMILESCCn1cc(S(=O)(=O)NC(=O)CC(C)C)cn1
InChIInChI=1S/C10H17N3O3S/c1-4-13-7-9(6-11-13)17(15,16)12-10(14)5-8(2)3/h6-8H,4-5H2,1-3H3,(H,12,14)
InChIKeyQRSYPQPCYCHDPQ-UHFFFAOYSA-N
XLogP0.75
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
N-(1-ethylpyrazol-4-yl)sulfonyl-2-methyl-3-(4-methylphenyl)propanamide
CID 75518066
N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71978362
(2S)-N-(1-ethylpyrazol-4-yl)sulfonyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129358710
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide (CID 71978358) is N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide is CCn1cc(S(=O)(=O)NC(=O)CC(C)C)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide?
The InChIKey is QRSYPQPCYCHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-13-7-9(6-11-13)17(15,16)12-10(14)5-8(2)3/h6-8H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide?
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide has a molecular weight of 259.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide is sourced from PubChem (CID 71978358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).