N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide

C13H21N3O4S — CID 154789620

IUPACN-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)C1(C)COC1
InChIInChI=1S/C13H21N3O4S/c1-5-9-11(10(6-2)16(4)14-9)21(18,19)15-12(17)13(3)7-20-8-13/h5-8H2,1-4H3,(H,15,17)
InChIKeyIPWGIYHRPOFPRQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.39
Rot. Bonds5

About N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide

N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide (PubChem CID 154789620) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide
PubChem CID154789620
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)C1(C)COC1
InChIInChI=1S/C13H21N3O4S/c1-5-9-11(10(6-2)16(4)14-9)21(18,19)15-12(17)13(3)7-20-8-13/h5-8H2,1-4H3,(H,15,17)
InChIKeyIPWGIYHRPOFPRQ-UHFFFAOYSA-N
XLogP0.39
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-2-[(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylamino]-3-methylbenzoic acid
CID 99784461
N-(5-cyano-2-pyridinyl)-3,5-diethyl-1-methylpyrazole-4-sulfonamide
CID 84592671
3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide
CID 75454035
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129002000
N-(1-aminopropan-2-yl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
CID 86784633
(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
CID 97245691
3,5-diethyl-1,4-dimethylpyrazole
CID 44720131
N-[[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023800
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450367
3,5-diethyl-N,1-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-sulfonamide
CID 129004782
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75496307

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide (CID 154789620) is N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide is CCc1nn(C)c(CC)c1S(=O)(=O)NC(=O)C1(C)COC1.
What is the InChIKey of N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide?
The InChIKey is IPWGIYHRPOFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-5-9-11(10(6-2)16(4)14-9)21(18,19)15-12(17)13(3)7-20-8-13/h5-8H2,1-4H3,(H,15,17).
What are the key properties of N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide?
N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 154789620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).