4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C18H26IN5 — CID 110026747

IUPAC4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1nn(-c2ccccc2)cc1C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C18H25N5.HI/c1-14-8-10-22(11-9-14)18(19)20-12-16-13-23(21-15(16)2)17-6-4-3-5-7-17;/h3-7,13-14H,8-12H2,1-2H3,(H2,19,20);1H
InChIKeyPKOKUXFYZUCAAJ-UHFFFAOYSA-N
MW439.35 g/mol
LogP3.35
Rot. Bonds3

About 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110026747) has the molecular formula C18H26IN5 and a molecular weight of 439.35 g/mol. Its IUPAC name is 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110026747
Molecular FormulaC18H26IN5
Molecular Weight439.35 g/mol
Exact Mass439.12
IUPAC Name4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1nn(-c2ccccc2)cc1C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C18H25N5.HI/c1-14-8-10-22(11-9-14)18(19)20-12-16-13-23(21-15(16)2)17-6-4-3-5-7-17;/h3-7,13-14H,8-12H2,1-2H3,(H2,19,20);1H
InChIKeyPKOKUXFYZUCAAJ-UHFFFAOYSA-N
XLogP3.35
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 110027054
1-cyclopropyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110026737
N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 110027055
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
4-methyl-N'-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
CID 120602708
4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 110920726
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920712
N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927661
N'-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111466070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 110026747) is 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is Cc1nn(-c2ccccc2)cc1C/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is PKOKUXFYZUCAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.HI/c1-14-8-10-22(11-9-14)18(19)20-12-16-13-23(21-15(16)2)17-6-4-3-5-7-17;/h3-7,13-14H,8-12H2,1-2H3,(H2,19,20);1H.
What are the key properties of 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 439.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110026747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).