N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate

C6H7N4OS2- — CID 135590483

IUPACN-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate
SMILESCc1cc(C(=O)NNC(=S)[S-])n[nH]1
InChIInChI=1S/C6H8N4OS2/c1-3-2-4(8-7-3)5(11)9-10-6(12)13/h2H,1H3,(H,7,8)(H,9,11)(H2,10,12,13)/p-1
InChIKeyGHGBEENQMZDJSZ-UHFFFAOYSA-M
MW215.28 g/mol
LogP-0.22
Rot. Bonds1

About N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate

N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate (PubChem CID 135590483) has the molecular formula C6H7N4OS2- and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate
PubChem CID135590483
Molecular FormulaC6H7N4OS2-
Molecular Weight215.28 g/mol
Exact Mass215.01
IUPAC NameN-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate
SMILESCc1cc(C(=O)NNC(=S)[S-])n[nH]1
InChIInChI=1S/C6H8N4OS2/c1-3-2-4(8-7-3)5(11)9-10-6(12)13/h2H,1H3,(H,7,8)(H,9,11)(H2,10,12,13)/p-1
InChIKeyGHGBEENQMZDJSZ-UHFFFAOYSA-M
XLogP-0.22
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3321462
2-(4-tert-butylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide
CID 5170367
3-bromo-4-methoxy-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide
CID 4502341
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-3-phenylpropanamide
CID 5089948
N-but-3-en-2-yl-5-methyl-1H-pyrazole-3-carboxamide
CID 126992210
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
2-(2-bromo-4-methylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide
CID 4504420
2-(2,4-dibromo-6-methylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide
CID 4510147
N'-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3607698
N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 4509369

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate?
The IUPAC name of N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate (CID 135590483) is N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate.
What is the SMILES notation for N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate?
The canonical SMILES for N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate is Cc1cc(C(=O)NNC(=S)[S-])n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate?
The InChIKey is GHGBEENQMZDJSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N4OS2/c1-3-2-4(8-7-3)5(11)9-10-6(12)13/h2H,1H3,(H,7,8)(H,9,11)(H2,10,12,13)/p-1.
What are the key properties of N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate?
N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate has a molecular weight of 215.28 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate is sourced from PubChem (CID 135590483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).