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

C16H29N5 — CID 111608754

IUPAC1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCCCCC1CCCC1)NCc1cnn(C)c1
InChIInChI=1S/C16H29N5/c1-17-16(19-11-15-12-20-21(2)13-15)18-10-6-5-9-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyUDUQAOFAMNBIHM-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds7

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

1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine (PubChem CID 111608754) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
PubChem CID111608754
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCCCCC1CCCC1)NCc1cnn(C)c1
InChIInChI=1S/C16H29N5/c1-17-16(19-11-15-12-20-21(2)13-15)18-10-6-5-9-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyUDUQAOFAMNBIHM-UHFFFAOYSA-N
XLogP2.45
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentylpropyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111551512
1-(cyclobutylmethyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 119140248
1-(cyclopropylmethyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111551664
1-(3-methoxypropyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110973580
1-(4-cyclopentylbutyl)-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111608842
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111691258
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111608816
1-(3-cyclopentylpropyl)-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111946529
1-[2-(4-tert-butylphenyl)ethyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111551529
4-[[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111608883
1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111946769
1-(4-cyclopentylbutyl)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111608667

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine (CID 111608754) is 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine is C/N=C(\NCCCCC1CCCC1)NCc1cnn(C)c1.
What is the InChIKey of 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine?
The InChIKey is UDUQAOFAMNBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-17-16(19-11-15-12-20-21(2)13-15)18-10-6-5-9-14-7-3-4-8-14/h12-14H,3-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine?
1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine has a molecular weight of 291.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 111608754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).