1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine

C9H18N6 — CID 104886304

IUPAC1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1ccnn1C)NN
InChIInChI=1S/C9H18N6/c1-3-5-11-9(14-10)12-7-8-4-6-13-15(8)2/h4,6H,3,5,7,10H2,1-2H3,(H2,11,12,14)
InChIKeyZTBHNWFSILQEDO-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.26
Rot. Bonds4

About 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine

1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine (PubChem CID 104886304) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
PubChem CID104886304
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
SMILESCCCN/C(=N\Cc1ccnn1C)NN
InChIInChI=1S/C9H18N6/c1-3-5-11-9(14-10)12-7-8-4-6-13-15(8)2/h4,6H,3,5,7,10H2,1-2H3,(H2,11,12,14)
InChIKeyZTBHNWFSILQEDO-UHFFFAOYSA-N
XLogP-0.26
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.26
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-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-pentylguanidine
CID 111128285
1-ethyl-2,3-bis[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953417
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 111226466
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345102
1-(3,3-dimethylbutyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111878138
1-(2-butoxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953409
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111693908
1-[3-(dimethylamino)propyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954310
1-(3,3-diphenylpropyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111233679
methyl 3-[[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111954330
1-amino-2-(1,2-oxazol-3-ylmethyl)-3-propylguanidine
CID 116516090
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111355238

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
The IUPAC name of 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine (CID 104886304) is 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine.
What is the SMILES notation for 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
The canonical SMILES for 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine is CCCN/C(=N\Cc1ccnn1C)NN.
What is the InChIKey of 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
The InChIKey is ZTBHNWFSILQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-3-5-11-9(14-10)12-7-8-4-6-13-15(8)2/h4,6H,3,5,7,10H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine?
1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine has a molecular weight of 210.28 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine is sourced from PubChem (CID 104886304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).