N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide

C13H17N3OS — CID 145105927

IUPACN,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide
SMILESCc1cc(-c2cnn(C)c2)cc(S(=O)N(C)C)c1
InChIInChI=1S/C13H17N3OS/c1-10-5-11(12-8-14-16(4)9-12)7-13(6-10)18(17)15(2)3/h5-9H,1-4H3
InChIKeyOEZWYVDWBUWGEP-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.98
Rot. Bonds3

About N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide

N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide (PubChem CID 145105927) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide.

Molecular Properties

Compound NameN,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide
PubChem CID145105927
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide
SMILESCc1cc(-c2cnn(C)c2)cc(S(=O)N(C)C)c1
InChIInChI=1S/C13H17N3OS/c1-10-5-11(12-8-14-16(4)9-12)7-13(6-10)18(17)15(2)3/h5-9H,1-4H3
InChIKeyOEZWYVDWBUWGEP-UHFFFAOYSA-N
XLogP1.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]sulfanylmethanamine
CID 139398546
(NE,R)-4-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methylidene]benzenesulfinamide
CID 135366783
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
CID 165494673
1-[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]-1-iodohydrazine;ethane
CID 153376836
4-(3,5-dinitrophenyl)-1-methylpyrazole
CID 121277839
3-fluoro-5-(1-methylpyrazol-4-yl)phenol
CID 83130417
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
1,4-dimethylpyrazole
CID 167636457
3-(difluoromethyl)-5-(1-methylpyrazol-4-yl)aniline
CID 171394100
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
3-(1-methylpyrazol-4-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123423735

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide?
The IUPAC name of N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide (CID 145105927) is N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide.
What is the SMILES notation for N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide?
The canonical SMILES for N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide is Cc1cc(-c2cnn(C)c2)cc(S(=O)N(C)C)c1.
What is the InChIKey of N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide?
The InChIKey is OEZWYVDWBUWGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-5-11(12-8-14-16(4)9-12)7-13(6-10)18(17)15(2)3/h5-9H,1-4H3.
What are the key properties of N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide?
N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide has a molecular weight of 263.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-5-(1-methylpyrazol-4-yl)benzenesulfinamide is sourced from PubChem (CID 145105927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).