2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine

C11H19N7O — CID 110913352

IUPAC2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine
SMILESCOCCN/C(N)=N/CCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C11H19N7O/c1-19-6-5-16-11(14)15-4-2-3-9-8(7-12)10(13)18-17-9/h2-6H2,1H3,(H3,13,17,18)(H3,14,15,16)
InChIKeyOUNXPGMLTCAADK-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.65
Rot. Bonds7

About 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine

2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine (PubChem CID 110913352) has the molecular formula C11H19N7O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine
PubChem CID110913352
Molecular FormulaC11H19N7O
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine
SMILESCOCCN/C(N)=N/CCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C11H19N7O/c1-19-6-5-16-11(14)15-4-2-3-9-8(7-12)10(13)18-17-9/h2-6H2,1H3,(H3,13,17,18)(H3,14,15,16)
InChIKeyOUNXPGMLTCAADK-UHFFFAOYSA-N
XLogP-0.65
TPSA138.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(2-methoxyethyl)-1-methylurea
CID 75400181
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-cyclopropylguanidine
CID 110913354
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1,1-diethylguanidine
CID 111823349
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]cyclohexanecarboxamide
CID 8929445
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3-methoxynaphthalene-2-carboxamide
CID 8929450
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
CID 110913907
N-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 25371723
1-(2-methoxyethyl)-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]guanidine
CID 110935162
1-(2-methoxyethyl)-2-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]guanidine
CID 110935005

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine (CID 110913352) is 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine is COCCN/C(N)=N/CCCc1[nH]nc(N)c1C#N.
What is the InChIKey of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine?
The InChIKey is OUNXPGMLTCAADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O/c1-19-6-5-16-11(14)15-4-2-3-9-8(7-12)10(13)18-17-9/h2-6H2,1H3,(H3,13,17,18)(H3,14,15,16).
What are the key properties of 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine?
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine has a molecular weight of 265.32 g/mol, XLogP of -0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110913352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).