1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide

C9H18N6O2S — CID 136994567

IUPAC1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cnn(C)c1NS(=O)(=O)NCC(C)C
InChIInChI=1S/C9H18N6O2S/c1-6(2)4-13-18(16,17)14-9-7(8(10)11)5-12-15(9)3/h5-6,13-14H,4H2,1-3H3,(H3,10,11)
InChIKeyQKRNXAWWWHEROX-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.39
Rot. Bonds6

About 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide

1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide (PubChem CID 136994567) has the molecular formula C9H18N6O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide
PubChem CID136994567
Molecular FormulaC9H18N6O2S
Molecular Weight274.35 g/mol
Exact Mass274.12
IUPAC Name1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cnn(C)c1NS(=O)(=O)NCC(C)C
InChIInChI=1S/C9H18N6O2S/c1-6(2)4-13-18(16,17)14-9-7(8(10)11)5-12-15(9)3/h5-6,13-14H,4H2,1-3H3,(H3,10,11)
InChIKeyQKRNXAWWWHEROX-UHFFFAOYSA-N
XLogP-0.39
TPSA125.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide?
The IUPAC name of 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide (CID 136994567) is 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide.
What is the SMILES notation for 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide?
The canonical SMILES for 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide is [H]/N=C(\N)c1cnn(C)c1NS(=O)(=O)NCC(C)C.
What is the InChIKey of 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide?
The InChIKey is QKRNXAWWWHEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2S/c1-6(2)4-13-18(16,17)14-9-7(8(10)11)5-12-15(9)3/h5-6,13-14H,4H2,1-3H3,(H3,10,11).
What are the key properties of 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide?
1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide has a molecular weight of 274.35 g/mol, XLogP of -0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropylsulfamoylamino)pyrazole-4-carboximidamide is sourced from PubChem (CID 136994567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).