1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide

C15H17N5O3S — CID 87027340

IUPAC1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)cn1
InChIInChI=1S/C15H17N5O3S/c1-19-12-15(11-17-19)24(21,22)18-13-4-2-5-14(10-13)23-9-8-20-7-3-6-16-20/h2-7,10-12,18H,8-9H2,1H3
InChIKeySNLBUZNUVXYPJJ-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.50
Rot. Bonds7

About 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide

1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide (PubChem CID 87027340) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
PubChem CID87027340
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)cn1
InChIInChI=1S/C15H17N5O3S/c1-19-12-15(11-17-19)24(21,22)18-13-4-2-5-14(10-13)23-9-8-20-7-3-6-16-20/h2-7,10-12,18H,8-9H2,1H3
InChIKeySNLBUZNUVXYPJJ-UHFFFAOYSA-N
XLogP1.50
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
CID 55900967
1-tert-butyl-3,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 86934823
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55968651
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55968780
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55854748
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide (CID 87027340) is 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)cn1.
What is the InChIKey of 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide?
The InChIKey is SNLBUZNUVXYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-19-12-15(11-17-19)24(21,22)18-13-4-2-5-14(10-13)23-9-8-20-7-3-6-16-20/h2-7,10-12,18H,8-9H2,1H3.
What are the key properties of 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide?
1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 87027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).