1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide

C10H20IN5 — CID 111081429

IUPAC1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1cnn(C)c1.I
InChIInChI=1S/C10H19N5.HI/c1-4-15(5-2)10(11)12-6-9-7-13-14(3)8-9;/h7-8H,4-6H2,1-3H3,(H2,11,12);1H
InChIKeyJJVKEIIETPWACN-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.19
Rot. Bonds4

About 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide

1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide (PubChem CID 111081429) has the molecular formula C10H20IN5 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
PubChem CID111081429
Molecular FormulaC10H20IN5
Molecular Weight337.21 g/mol
Exact Mass337.08
IUPAC Name1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/Cc1cnn(C)c1.I
InChIInChI=1S/C10H19N5.HI/c1-4-15(5-2)10(11)12-6-9-7-13-14(3)8-9;/h7-8H,4-6H2,1-3H3,(H2,11,12);1H
InChIKeyJJVKEIIETPWACN-UHFFFAOYSA-N
XLogP1.19
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
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

2-[(1-benzylpyrazol-4-yl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111065817
1,1-diethyl-2-[(4-iodo-1-methylpyrazol-3-yl)methyl]guanidine
CID 122097870
1-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 62362450
2-[(6-chloro-3-pyridinyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111041924
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
1,1-diethyl-2-[(4-methylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111079356
2-[(1-methylpyrazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111081485
2-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119863711
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-propylguanidine
CID 111228005
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide (CID 111081429) is 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/Cc1cnn(C)c1.I.
What is the InChIKey of 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is JJVKEIIETPWACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.HI/c1-4-15(5-2)10(11)12-6-9-7-13-14(3)8-9;/h7-8H,4-6H2,1-3H3,(H2,11,12);1H.
What are the key properties of 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide?
1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 337.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111081429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).