N,1-dimethyl-4-methylsulfanylpyrazol-3-amine

C6H11N3S — CID 174381718

IUPACN,1-dimethyl-4-methylsulfanylpyrazol-3-amine
SMILESCNc1nn(C)cc1SC
InChIInChI=1S/C6H11N3S/c1-7-6-5(10-3)4-9(2)8-6/h4H,1-3H3,(H,7,8)
InChIKeyHKQVZVVXLJCXSR-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.18
Rot. Bonds2

About N,1-dimethyl-4-methylsulfanylpyrazol-3-amine

N,1-dimethyl-4-methylsulfanylpyrazol-3-amine (PubChem CID 174381718) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N,1-dimethyl-4-methylsulfanylpyrazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-4-methylsulfanylpyrazol-3-amine
PubChem CID174381718
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN,1-dimethyl-4-methylsulfanylpyrazol-3-amine
SMILESCNc1nn(C)cc1SC
InChIInChI=1S/C6H11N3S/c1-7-6-5(10-3)4-9(2)8-6/h4H,1-3H3,(H,7,8)
InChIKeyHKQVZVVXLJCXSR-UHFFFAOYSA-N
XLogP1.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,1-dimethylpyrazol-3-amine
CID 83872405
3-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpyrazin-2-amine
CID 112671713
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole
CID 139370353
1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine
CID 103078765
3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine
CID 138481082
3-N-tert-butyl-1-methylpyrazole-3,4-diamine
CID 103077897
2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 112671008
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
CID 102812579
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895
N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine
CID 155449767

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-methylsulfanylpyrazol-3-amine?
The IUPAC name of N,1-dimethyl-4-methylsulfanylpyrazol-3-amine (CID 174381718) is N,1-dimethyl-4-methylsulfanylpyrazol-3-amine.
What is the SMILES notation for N,1-dimethyl-4-methylsulfanylpyrazol-3-amine?
The canonical SMILES for N,1-dimethyl-4-methylsulfanylpyrazol-3-amine is CNc1nn(C)cc1SC.
What is the InChIKey of N,1-dimethyl-4-methylsulfanylpyrazol-3-amine?
The InChIKey is HKQVZVVXLJCXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-7-6-5(10-3)4-9(2)8-6/h4H,1-3H3,(H,7,8).
What are the key properties of N,1-dimethyl-4-methylsulfanylpyrazol-3-amine?
N,1-dimethyl-4-methylsulfanylpyrazol-3-amine has a molecular weight of 157.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-methylsulfanylpyrazol-3-amine is sourced from PubChem (CID 174381718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).