N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

C17H24N4O2S — CID 75470933

IUPACN-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C17H24N4O2S/c1-13-17(12-20-10-9-15(11-20)19-24(3,22)23)14(2)21(18-13)16-7-5-4-6-8-16/h4-8,15,19H,9-12H2,1-3H3
InChIKeySAABZUNAXNZTTG-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.61
Rot. Bonds5

About N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 75470933) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID75470933
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C17H24N4O2S/c1-13-17(12-20-10-9-15(11-20)19-24(3,22)23)14(2)21(18-13)16-7-5-4-6-8-16/h4-8,15,19H,9-12H2,1-3H3
InChIKeySAABZUNAXNZTTG-UHFFFAOYSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-2-phenylbenzamide
CID 6710997
1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968586
2-cyclohexyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 67037773
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
CID 120834049
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19331795
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349914
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 128968445
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(ethoxymethyl)morpholine
CID 136555263
[(3R,4R)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769604
N-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499712
(4aS,7aS)-6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 129378900

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide (CID 75470933) is N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is Cc1nn(-c2ccccc2)c(C)c1CN1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SAABZUNAXNZTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-17(12-20-10-9-15(11-20)19-24(3,22)23)14(2)21(18-13)16-7-5-4-6-8-16/h4-8,15,19H,9-12H2,1-3H3.
What are the key properties of N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 75470933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).