N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide

C16H29N5 — CID 111210091

IUPACN-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCC(C)CC1
InChIInChI=1S/C16H29N5/c1-4-17-16(21-10-7-13(2)8-11-21)18-9-5-6-15-12-19-20-14(15)3/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGLQNZPIGCWFSJI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide

N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111210091) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide
PubChem CID111210091
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCc1cn[nH]c1C)N1CCC(C)CC1
InChIInChI=1S/C16H29N5/c1-4-17-16(21-10-7-13(2)8-11-21)18-9-5-6-15-12-19-20-14(15)3/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGLQNZPIGCWFSJI-UHFFFAOYSA-N
XLogP2.35
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
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

N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724171
N,2-diethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486322
N-ethyl-4-(2-hydroxyphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboximidamide
CID 111185994
N-ethyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947618
N-ethyl-4-(4-methoxyphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111242230
N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109480992
N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109401616
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
N-ethyl-4-methyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide
CID 111211651
1-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914812
1-(4-cyclopentylbutyl)-3-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine
CID 111609042
N-ethyl-N'-(3-methoxypropyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212086

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide (CID 111210091) is N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide is CCN/C(=N\CCCc1cn[nH]c1C)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is GLQNZPIGCWFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-17-16(21-10-7-13(2)8-11-21)18-9-5-6-15-12-19-20-14(15)3/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 291.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111210091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).