N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide

C19H21N3O3S — CID 142587965

IUPACN,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C19H21N3O3S/c1-24-17-7-3-15(4-8-17)13-22(26(23)19-11-20-21-12-19)14-16-5-9-18(25-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyXYQBYFVPTHUULK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.15
Rot. Bonds8

About N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide

N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide (PubChem CID 142587965) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide
PubChem CID142587965
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C19H21N3O3S/c1-24-17-7-3-15(4-8-17)13-22(26(23)19-11-20-21-12-19)14-16-5-9-18(25-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyXYQBYFVPTHUULK-UHFFFAOYSA-N
XLogP3.15
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfinamide
CID 143659840
4-[benzyl-[(4-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
CID 143767179
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide
CID 137398530
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfinamide
CID 137398696
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
CID 10215306
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
tert-butyl N-[(4-methoxyphenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamate
CID 167421339

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide (CID 142587965) is N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide?
The InChIKey is XYQBYFVPTHUULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-24-17-7-3-15(4-8-17)13-22(26(23)19-11-20-21-12-19)14-16-5-9-18(25-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,20,21).
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide?
N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide has a molecular weight of 371.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide is sourced from PubChem (CID 142587965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).