2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide

C12H14N4OS — CID 116792841

IUPAC2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cnn(C)c2)cccc1SC
InChIInChI=1S/C12H14N4OS/c1-16-7-8(6-15-16)17-9-4-3-5-10(18-2)11(9)12(13)14/h3-7H,1-2H3,(H3,13,14)
InChIKeyAOGJIEVLPREVEM-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.22
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide

2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide (PubChem CID 116792841) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
PubChem CID116792841
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cnn(C)c2)cccc1SC
InChIInChI=1S/C12H14N4OS/c1-16-7-8(6-15-16)17-9-4-3-5-10(18-2)11(9)12(13)14/h3-7H,1-2H3,(H3,13,14)
InChIKeyAOGJIEVLPREVEM-UHFFFAOYSA-N
XLogP2.22
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
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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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarbothioamide
CID 116801312
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116792751
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685
2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide
CID 114157522
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
CID 116792382

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide (CID 116792841) is 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Oc2cnn(C)c2)cccc1SC.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is AOGJIEVLPREVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16-7-8(6-15-16)17-9-4-3-5-10(18-2)11(9)12(13)14/h3-7H,1-2H3,(H3,13,14).
What are the key properties of 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide?
2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 262.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 116792841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).