3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide

C14H18N4O — CID 107657153

IUPAC3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cnn(CC)c2)c1
InChIInChI=1S/C14H18N4O/c1-3-18-8-11(7-17-18)9-19-13-6-12(14(15)16)5-4-10(13)2/h4-8H,3,9H2,1-2H3,(H3,15,16)
InChIKeyZLSFRNRQEZKHIF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.07
Rot. Bonds5

About 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide

3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide (PubChem CID 107657153) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide
PubChem CID107657153
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2cnn(CC)c2)c1
InChIInChI=1S/C14H18N4O/c1-3-18-8-11(7-17-18)9-19-13-6-12(14(15)16)5-4-10(13)2/h4-8H,3,9H2,1-2H3,(H3,15,16)
InChIKeyZLSFRNRQEZKHIF-UHFFFAOYSA-N
XLogP2.07
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.07
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

3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarbothioamide
CID 107656268
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
CID 107283989
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 107657059
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide (CID 107657153) is 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCc2cnn(CC)c2)c1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide?
The InChIKey is ZLSFRNRQEZKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18-8-11(7-17-18)9-19-13-6-12(14(15)16)5-4-10(13)2/h4-8H,3,9H2,1-2H3,(H3,15,16).
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide?
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide has a molecular weight of 258.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107657153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).