6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide

C20H22FN5O2 — CID 60604264

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N/OCCCOc3ccc(F)cc3)cn2)n1
InChIInChI=1S/C20H22FN5O2/c1-14-12-15(2)26(24-14)19-9-4-16(13-23-19)20(22)25-28-11-3-10-27-18-7-5-17(21)6-8-18/h4-9,12-13H,3,10-11H2,1-2H3,(H2,22,25)
InChIKeyVNRNJTSRXNILRG-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.13
Rot. Bonds8

About 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide

6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide (PubChem CID 60604264) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
PubChem CID60604264
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N/OCCCOc3ccc(F)cc3)cn2)n1
InChIInChI=1S/C20H22FN5O2/c1-14-12-15(2)26(24-14)19-9-4-16(13-23-19)20(22)25-28-11-3-10-27-18-7-5-17(21)6-8-18/h4-9,12-13H,3,10-11H2,1-2H3,(H2,22,25)
InChIKeyVNRNJTSRXNILRG-UHFFFAOYSA-N
XLogP3.13
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide
CID 75397025
N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52530546
N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52527082
6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide
CID 126812366
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591183
methyl 5-[[(E)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxymethyl]furan-2-carboxylate
CID 60609575
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703799
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
CID 75264712
2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 60609646
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
CID 47002494
2-(3-bromophenoxy)ethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644722
(2-fluorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644962

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide (CID 60604264) is 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide is Cc1cc(C)n(-c2ccc(/C(N)=N/OCCCOc3ccc(F)cc3)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide?
The InChIKey is VNRNJTSRXNILRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-14-12-15(2)26(24-14)19-9-4-16(13-23-19)20(22)25-28-11-3-10-27-18-7-5-17(21)6-8-18/h4-9,12-13H,3,10-11H2,1-2H3,(H2,22,25).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide?
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide has a molecular weight of 383.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 60604264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).