2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine

C13H17N5 — CID 113435090

IUPAC2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine
SMILESCn1ccc(CC/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C13H17N5/c1-18-10-8-12(17-18)7-9-15-13(14)16-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H3,14,15,16)
InChIKeyAWWFRDRHLHTZNU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.39
Rot. Bonds4

About 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine

2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine (PubChem CID 113435090) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine
PubChem CID113435090
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine
SMILESCn1ccc(CC/N=C(\N)Nc2ccccc2)n1
InChIInChI=1S/C13H17N5/c1-18-10-8-12(17-18)7-9-15-13(14)16-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H3,14,15,16)
InChIKeyAWWFRDRHLHTZNU-UHFFFAOYSA-N
XLogP1.39
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.39
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-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110916157
2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 111549378
1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110912588
(E)-3-[2-(1-methylpyrazol-3-yl)ethylimino]but-1-ene-1,2-diamine
CID 138457602
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
CID 103643251
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-dodecyl-1-phenylguanidine
CID 101076594

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine (CID 113435090) is 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine is Cn1ccc(CC/N=C(\N)Nc2ccccc2)n1.
What is the InChIKey of 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine?
The InChIKey is AWWFRDRHLHTZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18-10-8-12(17-18)7-9-15-13(14)16-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H3,14,15,16).
What are the key properties of 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine?
2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine has a molecular weight of 243.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 113435090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).