4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide

C14H17ClN4O — CID 62129186

IUPAC4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCn2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C14H17ClN4O/c1-9-13(15)10(2)19(18-9)7-8-20-12-5-3-11(4-6-12)14(16)17/h3-6H,7-8H2,1-2H3,(H3,16,17)
InChIKeyGQQLXQPLLKSMPQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide

4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide (PubChem CID 62129186) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
PubChem CID62129186
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCn2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C14H17ClN4O/c1-9-13(15)10(2)19(18-9)7-8-20-12-5-3-11(4-6-12)14(16)17/h3-6H,7-8H2,1-2H3,(H3,16,17)
InChIKeyGQQLXQPLLKSMPQ-UHFFFAOYSA-N
XLogP2.52
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.52
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

4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
CID 61299238
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole
CID 62129029
4-butoxybenzenecarboximidamide
CID 3015454
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarboximidamide
CID 104603240
4-octoxybenzenecarboximidamide
CID 3302492

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide (CID 62129186) is 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCn2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
The InChIKey is GQQLXQPLLKSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-13(15)10(2)19(18-9)7-8-20-12-5-3-11(4-6-12)14(16)17/h3-6H,7-8H2,1-2H3,(H3,16,17).
What are the key properties of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide has a molecular weight of 292.77 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 62129186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).