N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

C24H27N5 — CID 111263761

IUPACN'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESC/N=C(\NCCc1cnn(-c2ccccc2)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H27N5/c1-25-24(28-16-13-22(14-17-28)21-8-4-2-5-9-21)26-15-12-20-18-27-29(19-20)23-10-6-3-7-11-23/h2-11,13,18-19H,12,14-17H2,1H3,(H,25,26)
InChIKeyFZGABORHAUFJNQ-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.78
Rot. Bonds5

About N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 111263761) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID111263761
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC NameN'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESC/N=C(\NCCc1cnn(-c2ccccc2)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H27N5/c1-25-24(28-16-13-22(14-17-28)21-8-4-2-5-9-21)26-15-12-20-18-27-29(19-20)23-10-6-3-7-11-23/h2-11,13,18-19H,12,14-17H2,1H3,(H,25,26)
InChIKeyFZGABORHAUFJNQ-UHFFFAOYSA-N
XLogP3.78
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.78
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'}

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Related Compounds

N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264045
N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962058
4-(4-methoxyphenyl)-N'-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111242895
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 109434417
N'-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263738
N'-methyl-3-morpholin-4-yl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111728499
1-(cyclopropylmethyl)-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111870444
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenylpiperazine-1-carboximidamide
CID 110961665
2-methyl-1-(2-methylcyclopropyl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111963485
N-[7-(dimethylamino)heptyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263288
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 119131238

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 111263761) is N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is C/N=C(\NCCc1cnn(-c2ccccc2)c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is FZGABORHAUFJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-25-24(28-16-13-22(14-17-28)21-8-4-2-5-9-21)26-15-12-20-18-27-29(19-20)23-10-6-3-7-11-23/h2-11,13,18-19H,12,14-17H2,1H3,(H,25,26).
What are the key properties of N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 385.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 111263761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).