1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine

C21H31N5O — CID 111956191

IUPAC1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnn1C)NCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H31N5O/c1-3-22-21(24-16-18-13-15-25-26(18)2)23-14-12-17-8-10-20(11-9-17)27-19-6-4-5-7-19/h8-11,13,15,19H,3-7,12,14,16H2,1-2H3,(H2,22,23,24)
InChIKeyHHFLQSANZWJYDY-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.04
Rot. Bonds8

About 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine

1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine (PubChem CID 111956191) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
PubChem CID111956191
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnn1C)NCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H31N5O/c1-3-22-21(24-16-18-13-15-25-26(18)2)23-14-12-17-8-10-20(11-9-17)27-19-6-4-5-7-19/h8-11,13,15,19H,3-7,12,14,16H2,1-2H3,(H2,22,23,24)
InChIKeyHHFLQSANZWJYDY-UHFFFAOYSA-N
XLogP3.04
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.04
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-(2-cycloheptyloxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111576035
1-[3-(4-chlorophenyl)propyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955117
1-(2-butoxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953409
1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111956491
N-cyclopentyl-3-[[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]propanamide
CID 111956093
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111693908
1-ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954707
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-pentylguanidine
CID 111128285
1-ethyl-2,3-bis[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953417
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111355238
1-ethyl-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955764
1-(3,3-diphenylpropyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111233679

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine (CID 111956191) is 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1ccnn1C)NCCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
The InChIKey is HHFLQSANZWJYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-3-22-21(24-16-18-13-15-25-26(18)2)23-14-12-17-8-10-20(11-9-17)27-19-6-4-5-7-19/h8-11,13,15,19H,3-7,12,14,16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine has a molecular weight of 369.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111956191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).