N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide

C15H17N5O3S — CID 131950435

IUPACN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccccc1-n1cc(CNS(=O)(=O)c2cn(C)cn2)cn1
InChIInChI=1S/C15H17N5O3S/c1-19-10-15(16-11-19)24(21,22)18-8-12-7-17-20(9-12)13-5-3-4-6-14(13)23-2/h3-7,9-11,18H,8H2,1-2H3
InChIKeyKOULNQUZVZCKMM-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.09
Rot. Bonds6

About N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide

N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 131950435) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID131950435
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccccc1-n1cc(CNS(=O)(=O)c2cn(C)cn2)cn1
InChIInChI=1S/C15H17N5O3S/c1-19-10-15(16-11-19)24(21,22)18-8-12-7-17-20(9-12)13-5-3-4-6-14(13)23-2/h3-7,9-11,18H,8H2,1-2H3
InChIKeyKOULNQUZVZCKMM-UHFFFAOYSA-N
XLogP1.09
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 99971690
2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 86284011
1-methyl-N-(thiophen-3-ylmethyl)imidazole-4-sulfonamide
CID 71806154
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 20958647
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 2811920
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50982847
(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine
CID 95149374
N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
CID 120583442
4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
CID 131935843
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154892390

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide (CID 131950435) is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide is COc1ccccc1-n1cc(CNS(=O)(=O)c2cn(C)cn2)cn1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is KOULNQUZVZCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-19-10-15(16-11-19)24(21,22)18-8-12-7-17-20(9-12)13-5-3-4-6-14(13)23-2/h3-7,9-11,18H,8H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 131950435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).