N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide

C14H24N4O3S — CID 56779611

IUPACN-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)CCNS(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-10-14(11(2)17(3)16-10)12-6-5-9-18(12)13(19)7-8-15-22(4,20)21/h12,15H,5-9H2,1-4H3
InChIKeyTZAAVBGOVCDFDR-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.64
Rot. Bonds5

About N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 56779611) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID56779611
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1C1CCCN1C(=O)CCNS(C)(=O)=O
InChIInChI=1S/C14H24N4O3S/c1-10-14(11(2)17(3)16-10)12-6-5-9-18(12)13(19)7-8-15-22(4,20)21/h12,15H,5-9H2,1-4H3
InChIKeyTZAAVBGOVCDFDR-UHFFFAOYSA-N
XLogP0.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
N-{(3S*,4R*)-4-propyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-pyrrolidinyl}methanesulfonamide
CID 70709235
1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91921428
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 91923217
N~2~-(methylsulfonyl)-N~1~-[2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethyl]alaninamide
CID 91837686
N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 164641373
N-isopropyl-3-[methyl(methylsulfonyl)amino]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 46990195
1-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 19282390
1-Pyrrolidin-1-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-1-one
CID 28654807
N-[[(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 32008234
N-[[(2S)-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 32008238

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide (CID 56779611) is N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide is Cc1nn(C)c(C)c1C1CCCN1C(=O)CCNS(C)(=O)=O.
What is the InChIKey of N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is TZAAVBGOVCDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-10-14(11(2)17(3)16-10)12-6-5-9-18(12)13(19)7-8-15-22(4,20)21/h12,15H,5-9H2,1-4H3.
What are the key properties of N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 56779611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).