1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide

C11H20N4S — CID 107750169

IUPAC1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1SCCC(C)C
InChIInChI=1S/C11H20N4S/c1-7(2)5-6-16-11-9(10(12)13)8(3)14-15(11)4/h7H,5-6H2,1-4H3,(H3,12,13)
InChIKeyDBRSYZWVHULRIP-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.15
Rot. Bonds5

About 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide

1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide (PubChem CID 107750169) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide
PubChem CID107750169
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1SCCC(C)C
InChIInChI=1S/C11H20N4S/c1-7(2)5-6-16-11-9(10(12)13)8(3)14-15(11)4/h7H,5-6H2,1-4H3,(H3,12,13)
InChIKeyDBRSYZWVHULRIP-UHFFFAOYSA-N
XLogP2.15
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboxylic acid
CID 107758013
5-cyclopentylsulfanyl-1,3-dimethylpyrazole-4-carboximidamide
CID 63750570
1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide
CID 55243104
5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 78950744
5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide
CID 63752459
5-(2-fluorophenyl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide
CID 55243296
1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carbonitrile
CID 107749424
1,3-dimethyl-5-naphthalen-2-ylsulfanylpyrazole-4-carboximidamide
CID 63752643
1,3-dimethyl-5-(4-nitrophenyl)sulfanylpyrazole-4-carboximidamide
CID 63753138
5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 55243489
1-ethyl-3,5-dimethylpyrazole-4-carboximidamide
CID 130631217
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide (CID 107750169) is 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1SCCC(C)C.
What is the InChIKey of 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide?
The InChIKey is DBRSYZWVHULRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-7(2)5-6-16-11-9(10(12)13)8(3)14-15(11)4/h7H,5-6H2,1-4H3,(H3,12,13).
What are the key properties of 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide?
1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide has a molecular weight of 240.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carboximidamide is sourced from PubChem (CID 107750169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).