1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine

C11H14N6 — CID 116515830

IUPAC1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine
SMILESCn1ccc(/N=C(\NN)Nc2ccccc2)n1
InChIInChI=1S/C11H14N6/c1-17-8-7-10(16-17)14-11(15-12)13-9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H2,13,14,15,16)
InChIKeyAQLAJBOBCTYODF-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.98
Rot. Bonds2

About 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine

1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine (PubChem CID 116515830) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine
PubChem CID116515830
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine
SMILESCn1ccc(/N=C(\NN)Nc2ccccc2)n1
InChIInChI=1S/C11H14N6/c1-17-8-7-10(16-17)14-11(15-12)13-9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H2,13,14,15,16)
InChIKeyAQLAJBOBCTYODF-UHFFFAOYSA-N
XLogP0.98
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.98
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-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine
CID 114250806
1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine
CID 116515439
1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 116514712
1-amino-2-(4-methylsulfonylphenyl)-3-phenylguanidine
CID 116512239
2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine
CID 113435090
1-amino-2-(2-fluoro-4-methylphenyl)-3-phenylguanidine
CID 116512637
1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-phenylguanidine
CID 114542427
1-amino-2-(2,3-dichlorophenyl)-3-phenylguanidine
CID 116512617
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-3-(3-ethylphenyl)-2-phenylguanidine
CID 116512544

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine (CID 116515830) is 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine is Cn1ccc(/N=C(\NN)Nc2ccccc2)n1.
What is the InChIKey of 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine?
The InChIKey is AQLAJBOBCTYODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-17-8-7-10(16-17)14-11(15-12)13-9-5-3-2-4-6-9/h2-8H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine?
1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine has a molecular weight of 230.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methylpyrazol-3-yl)-3-phenylguanidine is sourced from PubChem (CID 116515830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).