N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C22H31N5 — CID 111264039

IUPACN'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\CCCn1nc(C)cc1C)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H31N5/c1-4-23-22(24-13-8-14-27-19(3)17-18(2)25-27)26-15-11-21(12-16-26)20-9-6-5-7-10-20/h5-7,9-11,17H,4,8,12-16H2,1-3H3,(H,23,24)
InChIKeySHSCPOUDUWRJGO-UHFFFAOYSA-N
MW365.53 g/mol
LogP3.64
Rot. Bonds6

About N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 111264039) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID111264039
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC NameN'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\CCCn1nc(C)cc1C)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H31N5/c1-4-23-22(24-13-8-14-27-19(3)17-18(2)25-27)26-15-11-21(12-16-26)20-9-6-5-7-10-20/h5-7,9-11,17H,4,8,12-16H2,1-3H3,(H,23,24)
InChIKeySHSCPOUDUWRJGO-UHFFFAOYSA-N
XLogP3.64
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 111264039) is N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CCN/C(=N\CCCn1nc(C)cc1C)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is SHSCPOUDUWRJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-4-23-22(24-13-8-14-27-19(3)17-18(2)25-27)26-15-11-21(12-16-26)20-9-6-5-7-10-20/h5-7,9-11,17H,4,8,12-16H2,1-3H3,(H,23,24).
What are the key properties of N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 365.53 g/mol, XLogP of 3.64, 6 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]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 111264039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).