2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide

C12H13ClN4O — CID 81346152

IUPAC2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)nn2C)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-7-5-11(17(2)16-7)18-8-3-4-9(12(14)15)10(13)6-8/h3-6H,1-2H3,(H3,14,15)
InChIKeyWERQCCWSKUEDAS-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.46
Rot. Bonds3

About 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide

2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide (PubChem CID 81346152) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide
PubChem CID81346152
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)nn2C)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-7-5-11(17(2)16-7)18-8-3-4-9(12(14)15)10(13)6-8/h3-6H,1-2H3,(H3,14,15)
InChIKeyWERQCCWSKUEDAS-UHFFFAOYSA-N
XLogP2.46
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.46
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

2-chloro-4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 102724521
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174828
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboximidamide
CID 81346153
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346371
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
2-bromo-4-(4-chloro-3-methylphenoxy)benzenecarboximidamide
CID 107279532
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide (CID 81346152) is 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)nn2C)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide?
The InChIKey is WERQCCWSKUEDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-5-11(17(2)16-7)18-8-3-4-9(12(14)15)10(13)6-8/h3-6H,1-2H3,(H3,14,15).
What are the key properties of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide?
2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide has a molecular weight of 264.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 81346152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).