1-methylsulfinylpyrazole-3-carboximidamide

C5H8N4OS — CID 57271563

IUPAC1-methylsulfinylpyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(S(C)=O)n1
InChIInChI=1S/C5H8N4OS/c1-11(10)9-3-2-4(8-9)5(6)7/h2-3H,1H3,(H3,6,7)
InChIKeyDUULGYVNXKDODU-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.69
Rot. Bonds2

About 1-methylsulfinylpyrazole-3-carboximidamide

1-methylsulfinylpyrazole-3-carboximidamide (PubChem CID 57271563) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-methylsulfinylpyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-methylsulfinylpyrazole-3-carboximidamide
PubChem CID57271563
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name1-methylsulfinylpyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(S(C)=O)n1
InChIInChI=1S/C5H8N4OS/c1-11(10)9-3-2-4(8-9)5(6)7/h2-3H,1H3,(H3,6,7)
InChIKeyDUULGYVNXKDODU-UHFFFAOYSA-N
XLogP-0.69
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.69
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-sulfanylpyrazole-3-carboximidamide
CID 68503147
1-(2-fluoroethylsulfonyl)pyrazole-3-carboximidamide
CID 57132650
pyridine-2,6-dicarboximidamide
CID 23373306
N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine
CID 141001443
tert-butyl 1-carbamimidoylpyrazole-3-carboxylate
CID 67025774
6-imidazol-1-ylpyridine-2-carboximidamide
CID 64595368
6-tert-butylpyridazine-3-carboximidamide
CID 89426391
triazine-4-carboximidamide
CID 154182712
6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 64595960
5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489725
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
6-ethylpyridine-2-carboximidamide
CID 14253206

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylpyrazole-3-carboximidamide?
The IUPAC name of 1-methylsulfinylpyrazole-3-carboximidamide (CID 57271563) is 1-methylsulfinylpyrazole-3-carboximidamide.
What is the SMILES notation for 1-methylsulfinylpyrazole-3-carboximidamide?
The canonical SMILES for 1-methylsulfinylpyrazole-3-carboximidamide is [H]/N=C(\N)c1ccn(S(C)=O)n1.
What is the InChIKey of 1-methylsulfinylpyrazole-3-carboximidamide?
The InChIKey is DUULGYVNXKDODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-11(10)9-3-2-4(8-9)5(6)7/h2-3H,1H3,(H3,6,7).
What are the key properties of 1-methylsulfinylpyrazole-3-carboximidamide?
1-methylsulfinylpyrazole-3-carboximidamide has a molecular weight of 172.21 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylpyrazole-3-carboximidamide is sourced from PubChem (CID 57271563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).