1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine

C7H13N3S — CID 62188450

IUPAC1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
SMILESCSCc1c(C)nn(C)c1N
InChIInChI=1S/C7H13N3S/c1-5-6(4-11-3)7(8)10(2)9-5/h4,8H2,1-3H3
InChIKeyDVCYHPAINPHHRA-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.17
Rot. Bonds2

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

1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine (PubChem CID 62188450) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
PubChem CID62188450
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
SMILESCSCc1c(C)nn(C)c1N
InChIInChI=1S/C7H13N3S/c1-5-6(4-11-3)7(8)10(2)9-5/h4,8H2,1-3H3
InChIKeyDVCYHPAINPHHRA-UHFFFAOYSA-N
XLogP1.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62189145
4-(diethylaminomethyl)-1,3-dimethylpyrazol-5-amine
CID 62178598
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
CID 55045198
1,3-dimethyl-4-[[methyl(propyl)amino]methyl]pyrazol-5-amine
CID 62182033
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209773
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine
CID 62190109
1,3-dimethyl-4-[(4-methylphenoxy)methyl]pyrazol-5-amine
CID 62195674
1,3-dimethyl-4-[[methyl(3-methylbutyl)amino]methyl]pyrazol-5-amine
CID 62208977
1,3-dimethyl-4-[(N-methylanilino)methyl]pyrazol-5-amine
CID 62178948
3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
CID 62208843
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 62207971

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine (CID 62188450) is 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine is CSCc1c(C)nn(C)c1N.
What is the InChIKey of 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
The InChIKey is DVCYHPAINPHHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5-6(4-11-3)7(8)10(2)9-5/h4,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine?
1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine has a molecular weight of 171.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine is sourced from PubChem (CID 62188450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).