1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine

C14H19N5 — CID 111066873

IUPAC1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N5/c1-11-3-5-13(6-4-11)18-14(15)16-8-7-12-9-17-19(2)10-12/h3-6,9-10H,7-8H2,1-2H3,(H3,15,16,18)
InChIKeyWMSLCYQPHSCRGR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.70
Rot. Bonds4

About 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine

1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine (PubChem CID 111066873) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
PubChem CID111066873
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N5/c1-11-3-5-13(6-4-11)18-14(15)16-8-7-12-9-17-19(2)10-12/h3-6,9-10H,7-8H2,1-2H3,(H3,15,16,18)
InChIKeyWMSLCYQPHSCRGR-UHFFFAOYSA-N
XLogP1.70
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.70
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

1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066872
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110916157
1-(3,5-dimethylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066854
1-(4-methylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039969
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599072
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119227
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(3,4-dimethoxyphenyl)-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111098494
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721247
1-(3-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111081414
2-[(1-methylpyrazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111081485
1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111039976

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine (CID 111066873) is 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine is Cc1ccc(N/C(N)=N/CCc2cnn(C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The InChIKey is WMSLCYQPHSCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-3-5-13(6-4-11)18-14(15)16-8-7-12-9-17-19(2)10-12/h3-6,9-10H,7-8H2,1-2H3,(H3,15,16,18).
What are the key properties of 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine has a molecular weight of 257.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111066873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).