1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

C12H18IN5O — CID 110938759

IUPAC1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccn[nH]1)NCc1ccco1.I
InChIInChI=1S/C12H17N5O.HI/c1-2-13-12(14-8-10-5-6-16-17-10)15-9-11-4-3-7-18-11;/h3-7H,2,8-9H2,1H3,(H,16,17)(H2,13,14,15);1H
InChIKeyRLTZZXDKVBERHJ-UHFFFAOYSA-N
MW375.21 g/mol
LogP1.88
Rot. Bonds5

About 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (PubChem CID 110938759) has the molecular formula C12H18IN5O and a molecular weight of 375.21 g/mol. Its IUPAC name is 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
PubChem CID110938759
Molecular FormulaC12H18IN5O
Molecular Weight375.21 g/mol
Exact Mass375.06
IUPAC Name1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccn[nH]1)NCc1ccco1.I
InChIInChI=1S/C12H17N5O.HI/c1-2-13-12(14-8-10-5-6-16-17-10)15-9-11-4-3-7-18-11;/h3-7H,2,8-9H2,1H3,(H,16,17)(H2,13,14,15);1H
InChIKeyRLTZZXDKVBERHJ-UHFFFAOYSA-N
XLogP1.88
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 51.88
H-Bond Donors ≤ 53
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

1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111671513
1-ethyl-3-(furan-2-ylmethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110937811
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938023
1-ethyl-3-(2-phenylethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111135778
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 110938971
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111231992
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937324
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110937484
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine
CID 110938972
1-ethyl-2-[(3-methylphenyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111900676
2-(1-benzofuran-2-ylmethyl)-1-ethyl-3-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937239

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (CID 110938759) is 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccn[nH]1)NCc1ccco1.I.
What is the InChIKey of 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The InChIKey is RLTZZXDKVBERHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.HI/c1-2-13-12(14-8-10-5-6-16-17-10)15-9-11-4-3-7-18-11;/h3-7H,2,8-9H2,1H3,(H,16,17)(H2,13,14,15);1H.
What are the key properties of 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide has a molecular weight of 375.21 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110938759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).