N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline

C17H24N4O2S — CID 154782315

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline
SMILESCCn1cc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1
InChIInChI=1S/C17H24N4O2S/c1-3-20-14-15(12-18-20)13-19(2)16-6-8-17(9-7-16)24(22,23)21-10-4-5-11-21/h6-9,12,14H,3-5,10-11,13H2,1-2H3
InChIKeyBEGCZSYDUHKEEJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.32
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline (PubChem CID 154782315) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline
PubChem CID154782315
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline
SMILESCCn1cc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1
InChIInChI=1S/C17H24N4O2S/c1-3-20-14-15(12-18-20)13-19(2)16-6-8-17(9-7-16)24(22,23)21-10-4-5-11-21/h6-9,12,14H,3-5,10-11,13H2,1-2H3
InChIKeyBEGCZSYDUHKEEJ-UHFFFAOYSA-N
XLogP2.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
(2R)-2-(N-methyl-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol
CID 154781272
5-(1-ethylpyrazol-4-yl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201452
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 31080299
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 46971295
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 26009926
N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 859979
1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684462

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline (CID 154782315) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline is CCn1cc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is BEGCZSYDUHKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-20-14-15(12-18-20)13-19(2)16-6-8-17(9-7-16)24(22,23)21-10-4-5-11-21/h6-9,12,14H,3-5,10-11,13H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 348.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 154782315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).