1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

C16H21Cl2N5 — CID 111070596

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NC(C)c1ccc(Cl)cc1Cl)Cn1cccn1
InChIInChI=1S/C16H21Cl2N5/c1-11(10-23-7-3-6-21-23)9-20-16(19)22-12(2)14-5-4-13(17)8-15(14)18/h3-8,11-12H,9-10H2,1-2H3,(H3,19,20,22)
InChIKeyRHDUTBFUJUARCR-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.49
Rot. Bonds6

About 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111070596) has the molecular formula C16H21Cl2N5 and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
PubChem CID111070596
Molecular FormulaC16H21Cl2N5
Molecular Weight354.29 g/mol
Exact Mass353.12
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NC(C)c1ccc(Cl)cc1Cl)Cn1cccn1
InChIInChI=1S/C16H21Cl2N5/c1-11(10-23-7-3-6-21-23)9-20-16(19)22-12(2)14-5-4-13(17)8-15(14)18/h3-8,11-12H,9-10H2,1-2H3,(H3,19,20,22)
InChIKeyRHDUTBFUJUARCR-UHFFFAOYSA-N
XLogP3.49
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.49
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

1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111070289
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023048
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058274
1-[1-(2,4-dichlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111031706
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111310733
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111068882
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111081499
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111802421
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068881
1-(4-methylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070545
1-[1-(2,4-dichlorophenyl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111026517

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (CID 111070596) is 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is CC(C/N=C(\N)NC(C)c1ccc(Cl)cc1Cl)Cn1cccn1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is RHDUTBFUJUARCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N5/c1-11(10-23-7-3-6-21-23)9-20-16(19)22-12(2)14-5-4-13(17)8-15(14)18/h3-8,11-12H,9-10H2,1-2H3,(H3,19,20,22).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 354.29 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111070596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).