1-sulfanylpyrazole-3-carboximidamide

C4H6N4S — CID 68503147

IUPAC1-sulfanylpyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(S)n1
InChIInChI=1S/C4H6N4S/c5-4(6)3-1-2-8(9)7-3/h1-2,9H,(H3,5,6)
InChIKeyIHELCMTVFKBRCN-UHFFFAOYSA-N
MW142.19 g/mol
LogP-0.14
Rot. Bonds1

About 1-sulfanylpyrazole-3-carboximidamide

1-sulfanylpyrazole-3-carboximidamide (PubChem CID 68503147) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is 1-sulfanylpyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-sulfanylpyrazole-3-carboximidamide
PubChem CID68503147
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC Name1-sulfanylpyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(S)n1
InChIInChI=1S/C4H6N4S/c5-4(6)3-1-2-8(9)7-3/h1-2,9H,(H3,5,6)
InChIKeyIHELCMTVFKBRCN-UHFFFAOYSA-N
XLogP-0.14
TPSA67.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfinylpyrazole-3-carboximidamide
CID 57271563
1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide
CID 57132650
pyridine-2,6-dicarboximidamide
CID 23373306
triazine-4-carboximidamide
CID 154182712
6-imidazol-1-ylpyridine-2-carboximidamide
CID 64595368
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 64595960
6-tert-butylpyridazine-3-carboximidamide
CID 89426391
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 115489734
[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83873031
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 63882416
isoquinoline-3-carboximidamide
CID 5069411

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpyrazole-3-carboximidamide?
The IUPAC name of 1-sulfanylpyrazole-3-carboximidamide (CID 68503147) is 1-sulfanylpyrazole-3-carboximidamide.
What is the SMILES notation for 1-sulfanylpyrazole-3-carboximidamide?
The canonical SMILES for 1-sulfanylpyrazole-3-carboximidamide is [H]/N=C(\N)c1ccn(S)n1.
What is the InChIKey of 1-sulfanylpyrazole-3-carboximidamide?
The InChIKey is IHELCMTVFKBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S/c5-4(6)3-1-2-8(9)7-3/h1-2,9H,(H3,5,6).
What are the key properties of 1-sulfanylpyrazole-3-carboximidamide?
1-sulfanylpyrazole-3-carboximidamide has a molecular weight of 142.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpyrazole-3-carboximidamide is sourced from PubChem (CID 68503147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).