(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane

C8H16N2S — CID 123906722

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane
SMILESCc1n[nH]c(C)c1S(C)(C)C
InChIInChI=1S/C8H16N2S/c1-6-8(11(3,4)5)7(2)10-9-6/h1-5H3,(H,9,10)
InChIKeyRZYNYWNGWGXOMW-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.08
Rot. Bonds1

About (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane

(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane (PubChem CID 123906722) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane
PubChem CID123906722
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane
SMILESCc1n[nH]c(C)c1S(C)(C)C
InChIInChI=1S/C8H16N2S/c1-6-8(11(3,4)5)7(2)10-9-6/h1-5H3,(H,9,10)
InChIKeyRZYNYWNGWGXOMW-UHFFFAOYSA-N
XLogP2.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(oxomethylidene)-1H-pyrazole-4-sulfonamide
CID 82076458
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
3,5-dimethyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 43091250
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
3,5-dimethyl-N-(2-methylcyclopropyl)-1H-pyrazole-4-sulfonamide
CID 62409421
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
1-amino-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]propan-2-ol
CID 75357308
3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60700329

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane (CID 123906722) is (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane is Cc1n[nH]c(C)c1S(C)(C)C.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane?
The InChIKey is RZYNYWNGWGXOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6-8(11(3,4)5)7(2)10-9-6/h1-5H3,(H,9,10).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane?
(3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane has a molecular weight of 172.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 123906722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).