N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide

C15H27N5 — CID 110919594

IUPACN'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCc1cc(C)n(CCC/N=C(\N)N2CCC(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-12-5-9-19(10-6-12)15(16)17-7-4-8-20-14(3)11-13(2)18-20/h11-12H,4-10H2,1-3H3,(H2,16,17)
InChIKeyPGKQCJWWBXETBS-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.94
Rot. Bonds4

About N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide

N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919594) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919594
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide
SMILESCc1cc(C)n(CCC/N=C(\N)N2CCC(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-12-5-9-19(10-6-12)15(16)17-7-4-8-20-14(3)11-13(2)18-20/h11-12H,4-10H2,1-3H3,(H2,16,17)
InChIKeyPGKQCJWWBXETBS-UHFFFAOYSA-N
XLogP1.94
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026985
1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride
CID 11971725
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111026946
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
4-methyl-N'-[3-(1,3-thiazol-2-ylsulfanyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111465995
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide (CID 110919594) is N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide is Cc1cc(C)n(CCC/N=C(\N)N2CCC(C)CC2)n1.
What is the InChIKey of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is PGKQCJWWBXETBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-5-9-19(10-6-12)15(16)17-7-4-8-20-14(3)11-13(2)18-20/h11-12H,4-10H2,1-3H3,(H2,16,17).
What are the key properties of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide?
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 277.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).