1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

C19H35N5 — CID 111609042

IUPAC1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1cn[nH]c1C)NCCCCC1CCCC1
InChIInChI=1S/C19H35N5/c1-3-20-19(21-13-7-6-11-17-9-4-5-10-17)22-14-8-12-18-15-23-24-16(18)2/h15,17H,3-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeySZCZEYFZDPGWIP-UHFFFAOYSA-N
MW333.52 g/mol
LogP3.57
Rot. Bonds10

About 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine

1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (PubChem CID 111609042) has the molecular formula C19H35N5 and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
PubChem CID111609042
Molecular FormulaC19H35N5
Molecular Weight333.52 g/mol
Exact Mass333.29
IUPAC Name1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1cn[nH]c1C)NCCCCC1CCCC1
InChIInChI=1S/C19H35N5/c1-3-20-19(21-13-7-6-11-17-9-4-5-10-17)22-14-8-12-18-15-23-24-16(18)2/h15,17H,3-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeySZCZEYFZDPGWIP-UHFFFAOYSA-N
XLogP3.57
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-ethyl-3-hexyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111161896
1-ethyl-3-(4-methylpentyl)-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111942624
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111406551
1-ethyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(3-phenylpropyl)guanidine
CID 111198662
1-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2-phenylethyl)guanidine
CID 111135955
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111693885
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
1-ethyl-3-[2-(3-methylbutoxy)ethyl]-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111970997
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111320160
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407164
1-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914812
1-(cyclobutylmethyl)-3-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 119151385

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The IUPAC name of 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine (CID 111609042) is 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is CCN/C(=N\CCCc1cn[nH]c1C)NCCCCC1CCCC1.
What is the InChIKey of 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
The InChIKey is SZCZEYFZDPGWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5/c1-3-20-19(21-13-7-6-11-17-9-4-5-10-17)22-14-8-12-18-15-23-24-16(18)2/h15,17H,3-14H2,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine?
1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine has a molecular weight of 333.52 g/mol, XLogP of 3.57, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 111609042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).