5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide

C11H13N3O3S — CID 175046479

IUPAC5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCOc1ccc(Cc2cc(S(N)(=O)=O)n[nH]2)cc1
InChIInChI=1S/C11H13N3O3S/c1-17-10-4-2-8(3-5-10)6-9-7-11(14-13-9)18(12,15)16/h2-5,7H,6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyGMDAPLDEJAVVGF-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.66
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide

5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide (PubChem CID 175046479) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide
PubChem CID175046479
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCOc1ccc(Cc2cc(S(N)(=O)=O)n[nH]2)cc1
InChIInChI=1S/C11H13N3O3S/c1-17-10-4-2-8(3-5-10)6-9-7-11(14-13-9)18(12,15)16/h2-5,7H,6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyGMDAPLDEJAVVGF-UHFFFAOYSA-N
XLogP0.66
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
6-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 121204988
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
CID 90156722
5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693127
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
(4-methoxyphenyl)methylsulfanylmethanesulfonamide
CID 14460406
acetic acid;1-[(4-methoxyphenyl)methyl]-5-(methylaminomethyl)pyrazole-3-sulfonamide
CID 175014218
2-[4-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]but-1-ynyl]pyridine
CID 141317591
7-amino-4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 69152626
2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]amino]ethanol;sulfuric acid
CID 67830998

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide (CID 175046479) is 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide is COc1ccc(Cc2cc(S(N)(=O)=O)n[nH]2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is GMDAPLDEJAVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-10-4-2-8(3-5-10)6-9-7-11(14-13-9)18(12,15)16/h2-5,7H,6H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide?
5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 175046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).