1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine

C12H16N6 — CID 116514712

IUPAC1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine
SMILESNN/C(=N\CCn1cccn1)Nc1ccccc1
InChIInChI=1S/C12H16N6/c13-17-12(16-11-5-2-1-3-6-11)14-8-10-18-9-4-7-15-18/h1-7,9H,8,10,13H2,(H2,14,16,17)
InChIKeyZYBDQZJRZPNOHB-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.81
Rot. Bonds4

About 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine

1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 116514712) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine
PubChem CID116514712
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine
SMILESNN/C(=N\CCn1cccn1)Nc1ccccc1
InChIInChI=1S/C12H16N6/c13-17-12(16-11-5-2-1-3-6-11)14-8-10-18-9-4-7-15-18/h1-7,9H,8,10,13H2,(H2,14,16,17)
InChIKeyZYBDQZJRZPNOHB-UHFFFAOYSA-N
XLogP0.81
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110912588
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 116515102
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-(3-anilinopropyl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111904869
1-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-phenylguanidine
CID 114542427
2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111905250
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111074814
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 116514706
1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893192

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine (CID 116514712) is 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine is NN/C(=N\CCn1cccn1)Nc1ccccc1.
What is the InChIKey of 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is ZYBDQZJRZPNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-17-12(16-11-5-2-1-3-6-11)14-8-10-18-9-4-7-15-18/h1-7,9H,8,10,13H2,(H2,14,16,17).
What are the key properties of 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine?
1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 244.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 116514712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).