1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine

C20H23N5 — CID 111039976

IUPAC1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H23N5/c1-2-16-8-10-18(11-9-16)24-20(21)22-13-12-17-14-23-25(15-17)19-6-4-3-5-7-19/h3-11,14-15H,2,12-13H2,1H3,(H3,21,22,24)
InChIKeyBIGTUGXMQMMBOT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.40
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine

1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine (PubChem CID 111039976) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
PubChem CID111039976
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H23N5/c1-2-16-8-10-18(11-9-16)24-20(21)22-13-12-17-14-23-25(15-17)19-6-4-3-5-7-19/h3-11,14-15H,2,12-13H2,1H3,(H3,21,22,24)
InChIKeyBIGTUGXMQMMBOT-UHFFFAOYSA-N
XLogP3.40
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.40
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-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039969
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110916157
2-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720841
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066873
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066872
1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine
CID 111126696
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-(2-methylpropyl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039957
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-phenyl-4-propylpyrazole
CID 12902534
1-(4-ethylphenyl)-2-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111089911

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine (CID 111039976) is 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine is CCc1ccc(N/C(N)=N/CCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
The InChIKey is BIGTUGXMQMMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-16-8-10-18(11-9-16)24-20(21)22-13-12-17-14-23-25(15-17)19-6-4-3-5-7-19/h3-11,14-15H,2,12-13H2,1H3,(H3,21,22,24).
What are the key properties of 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine has a molecular weight of 333.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111039976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).