1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide

C14H20IN5 — CID 86779695

IUPAC1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccccc1-n1ccc(C)n1.I
InChIInChI=1S/C14H19N5.HI/c1-11-8-9-19(18-11)13-7-5-4-6-12(13)10-17-14(15-2)16-3;/h4-9H,10H2,1-3H3,(H2,15,16,17);1H
InChIKeyRVNKAFRUJWZBSO-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.09
Rot. Bonds3

About 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide

1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 86779695) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
PubChem CID86779695
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC Name1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccccc1-n1ccc(C)n1.I
InChIInChI=1S/C14H19N5.HI/c1-11-8-9-19(18-11)13-7-5-4-6-12(13)10-17-14(15-2)16-3;/h4-9H,10H2,1-3H3,(H2,15,16,17);1H
InChIKeyRVNKAFRUJWZBSO-UHFFFAOYSA-N
XLogP2.09
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.09
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[N'-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467483
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359195
1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 120605821
1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 3028482
1-ethyl-2-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472730
1-benzyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110954851
3-ethyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 91652773
1,2-dimethyl-3-[[2-(phenoxymethyl)phenyl]methyl]guanidine
CID 86777132
4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
CID 133375330
3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 86784301
1-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471567

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide (CID 86779695) is 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide is C/N=C(\NC)NCc1ccccc1-n1ccc(C)n1.I.
What is the InChIKey of 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is RVNKAFRUJWZBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.HI/c1-11-8-9-19(18-11)13-7-5-4-6-12(13)10-17-14(15-2)16-3;/h4-9H,10H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide?
1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 385.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 86779695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).