N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine

C8H15N3S — CID 62189145

IUPACN,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
SMILESCNc1c(CSC)c(C)nn1C
InChIInChI=1S/C8H15N3S/c1-6-7(5-12-4)8(9-2)11(3)10-6/h9H,5H2,1-4H3
InChIKeyWSGIZEDKYMZMDX-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.63
Rot. Bonds3

About N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine

N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine (PubChem CID 62189145) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
PubChem CID62189145
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
SMILESCNc1c(CSC)c(C)nn1C
InChIInChI=1S/C8H15N3S/c1-6-7(5-12-4)8(9-2)11(3)10-6/h9H,5H2,1-4H3
InChIKeyWSGIZEDKYMZMDX-UHFFFAOYSA-N
XLogP1.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine
CID 62189467
1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62188450
4-[(2,5-dichlorophenyl)sulfanylmethyl]-N,1,3-trimethylpyrazol-5-amine
CID 55044896
N,1,3-trimethyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazol-5-amine
CID 62195408
2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile
CID 62182873
4-(tert-butylsulfanylmethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
CID 55045129
[1,3-dimethyl-4-(2-methylpropylsulfanylmethyl)pyrazol-5-yl]hydrazine
CID 62252125
4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55045017
3-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-6-methylpyrimidin-4-one
CID 62193988
1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridin-2-one
CID 62208487
4-[[cyclohexyl(ethyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55046155
N,3,5-trimethyltriazol-4-amine
CID 118346509

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine (CID 62189145) is N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine is CNc1c(CSC)c(C)nn1C.
What is the InChIKey of N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
The InChIKey is WSGIZEDKYMZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-7(5-12-4)8(9-2)11(3)10-6/h9H,5H2,1-4H3.
What are the key properties of N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine has a molecular weight of 185.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine is sourced from PubChem (CID 62189145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).