1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

C17H25N5O — CID 110050496

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccco1)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H25N5O/c1-18-17(19-10-8-16-7-4-12-23-16)20-13-14-9-11-22(21-14)15-5-2-3-6-15/h4,7,9,11-12,15H,2-3,5-6,8,10,13H2,1H3,(H2,18,19,20)
InChIKeyVBBRAOMDIAVGRQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.50
Rot. Bonds6

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (PubChem CID 110050496) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
PubChem CID110050496
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccco1)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H25N5O/c1-18-17(19-10-8-16-7-4-12-23-16)20-13-14-9-11-22(21-14)15-5-2-3-6-15/h4,7,9,11-12,15H,2-3,5-6,8,10,13H2,1H3,(H2,18,19,20)
InChIKeyVBBRAOMDIAVGRQ-UHFFFAOYSA-N
XLogP2.50
TPSA67.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.50
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

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
2-[(1-cyclopentylpyrazol-3-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050869
2-[(1-cyclopentylpyrazol-3-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110050863
1-[2-(furan-2-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111354404
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111356221
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354416
1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111576372
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111355769
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111785707
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 111356260
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111501187
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 84590629

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (CID 110050496) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is C/N=C(\NCCc1ccco1)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The InChIKey is VBBRAOMDIAVGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-18-17(19-10-8-16-7-4-12-23-16)20-13-14-9-11-22(21-14)15-5-2-3-6-15/h4,7,9,11-12,15H,2-3,5-6,8,10,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine has a molecular weight of 315.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110050496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).