1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide

C16H22N4O — CID 63750716

IUPAC1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C16H22N4O/c1-9(2)12-7-6-10(3)8-13(12)21-16-14(15(17)18)11(4)19-20(16)5/h6-9H,1-5H3,(H3,17,18)
InChIKeyUXLJRJLVADSFOE-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.24
Rot. Bonds4

About 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide

1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide (PubChem CID 63750716) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide
PubChem CID63750716
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C16H22N4O/c1-9(2)12-7-6-10(3)8-13(12)21-16-14(15(17)18)11(4)19-20(16)5/h6-9H,1-5H3,(H3,17,18)
InChIKeyUXLJRJLVADSFOE-UHFFFAOYSA-N
XLogP3.24
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.24
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

5-(2,4-dibromophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 64719322
5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 104707795
5-(2-bromo-4-chlorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63750877
5-(5-bromo-2-fluorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 114673652
5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 107665144
5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952252
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
5-(2-chloro-4-methylphenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 55243667
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 55242716
5-(4-butylphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 115492697

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide (CID 63750716) is 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1Oc1cc(C)ccc1C(C)C.
What is the InChIKey of 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide?
The InChIKey is UXLJRJLVADSFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9(2)12-7-6-10(3)8-13(12)21-16-14(15(17)18)11(4)19-20(16)5/h6-9H,1-5H3,(H3,17,18).
What are the key properties of 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide?
1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide has a molecular weight of 286.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyrazole-4-carboximidamide is sourced from PubChem (CID 63750716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).