1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine

C15H23N5S — CID 111957761

IUPAC1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(CC)s1)NCCn1cccn1
InChIInChI=1S/C15H23N5S/c1-3-13-6-7-14(21-13)12-18-15(16-4-2)17-9-11-20-10-5-8-19-20/h5-8,10H,3-4,9,11-12H2,1-2H3,(H2,16,17,18)
InChIKeyQYWOUNNTPBGLLE-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.26
Rot. Bonds7

About 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine

1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 111957761) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine
PubChem CID111957761
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(CC)s1)NCCn1cccn1
InChIInChI=1S/C15H23N5S/c1-3-13-6-7-14(21-13)12-18-15(16-4-2)17-9-11-20-10-5-8-19-20/h5-8,10H,3-4,9,11-12H2,1-2H3,(H2,16,17,18)
InChIKeyQYWOUNNTPBGLLE-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-3-(2-pyrazol-1-ylethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111260333
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111525371
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111956534
1-[2-(diethylamino)ethyl]-3-ethyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine
CID 111957911
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111956761
N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111956547
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111957548
2-benzyl-1-ethyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 110954986
methyl 3-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]propanoate
CID 111956995
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 109431470
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111851443
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906373

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine (CID 111957761) is 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine is CCN/C(=N\Cc1ccc(CC)s1)NCCn1cccn1.
What is the InChIKey of 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is QYWOUNNTPBGLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-13-6-7-14(21-13)12-18-15(16-4-2)17-9-11-20-10-5-8-19-20/h5-8,10H,3-4,9,11-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine?
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 305.45 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 111957761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).