4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide

C16H22N4 — CID 114483656

IUPAC4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2nc(C)c(CC)c2C)c(C)c1
InChIInChI=1S/C16H22N4/c1-5-15-11(3)19-20(12(15)4)9-14-7-6-13(16(17)18)8-10(14)2/h6-8H,5,9H2,1-4H3,(H3,17,18)
InChIKeyJYGKUEJJXCUGAS-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.70
Rot. Bonds4

About 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide

4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483656) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483656
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2nc(C)c(CC)c2C)c(C)c1
InChIInChI=1S/C16H22N4/c1-5-15-11(3)19-20(12(15)4)9-14-7-6-13(16(17)18)8-10(14)2/h6-8H,5,9H2,1-4H3,(H3,17,18)
InChIKeyJYGKUEJJXCUGAS-UHFFFAOYSA-N
XLogP2.70
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114482082
3-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 61226960
4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
CID 61299238
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-fluorobenzenecarbothioamide
CID 61237223
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 61236499
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483527
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483459
3-methyl-4-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114484167
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483620
3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458941

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide (CID 114483656) is 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cn2nc(C)c(CC)c2C)c(C)c1.
What is the InChIKey of 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is JYGKUEJJXCUGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-15-11(3)19-20(12(15)4)9-14-7-6-13(16(17)18)8-10(14)2/h6-8H,5,9H2,1-4H3,(H3,17,18).
What are the key properties of 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide?
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 270.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).