N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide

C18H18ClN5O — CID 52527082

IUPACN'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N\OCc3ccccc3Cl)cn2)n1
InChIInChI=1S/C18H18ClN5O/c1-12-9-13(2)24(22-12)17-8-7-14(10-21-17)18(20)23-25-11-15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3,(H2,20,23)
InChIKeyWFOCSBKFAQSWOK-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.37
Rot. Bonds5

About N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide

N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide (PubChem CID 52527082) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
PubChem CID52527082
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N\OCc3ccccc3Cl)cn2)n1
InChIInChI=1S/C18H18ClN5O/c1-12-9-13(2)24(22-12)17-8-7-14(10-21-17)18(20)23-25-11-15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3,(H2,20,23)
InChIKeyWFOCSBKFAQSWOK-UHFFFAOYSA-N
XLogP3.37
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52530546
6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide
CID 126812366
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
CID 60604264
methyl 5-[[(E)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxymethyl]furan-2-carboxylate
CID 60609575
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)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide
CID 75397025
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
CID 75264712
(2-fluorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644962
(3-chlorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428242
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide
CID 72692107
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
CID 47002494
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644993

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide (CID 52527082) is N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide is Cc1cc(C)n(-c2ccc(/C(N)=N\OCc3ccccc3Cl)cn2)n1.
What is the InChIKey of N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The InChIKey is WFOCSBKFAQSWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-12-9-13(2)24(22-12)17-8-7-14(10-21-17)18(20)23-25-11-15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3,(H2,20,23).
What are the key properties of N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide has a molecular weight of 355.83 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 52527082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).