1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine

C15H23N5S — CID 111940109

IUPAC1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccsc1)NCC(C)Cn1cccn1
InChIInChI=1S/C15H23N5S/c1-3-16-15(18-10-14-5-8-21-12-14)17-9-13(2)11-20-7-4-6-19-20/h4-8,12-13H,3,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyIDCSDDKVJMLEAR-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.34
Rot. Bonds7

About 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine

1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine (PubChem CID 111940109) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine
PubChem CID111940109
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccsc1)NCC(C)Cn1cccn1
InChIInChI=1S/C15H23N5S/c1-3-16-15(18-10-14-5-8-21-12-14)17-9-13(2)11-20-7-4-6-19-20/h4-8,12-13H,3,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyIDCSDDKVJMLEAR-UHFFFAOYSA-N
XLogP2.34
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111846909
1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940723
1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940722
2-[(2,5-difluorophenyl)methyl]-1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111902221
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111878877
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111704837
1-ethyl-3-propan-2-yl-2-(thiophen-3-ylmethyl)guanidine
CID 111125859
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940393
1-ethyl-3-(3-methylbutan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111000522
1-[2-(dimethylamino)-2-phenylethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940904
1-ethyl-3-propyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111225748
1-ethyl-3-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111257719

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine (CID 111940109) is 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine is CCN/C(=N\Cc1ccsc1)NCC(C)Cn1cccn1.
What is the InChIKey of 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine?
The InChIKey is IDCSDDKVJMLEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-16-15(18-10-14-5-8-21-12-14)17-9-13(2)11-20-7-4-6-19-20/h4-8,12-13H,3,9-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine?
1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine has a molecular weight of 305.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)-2-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 111940109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).