4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide

C15H19ClN4O — CID 114323567

IUPAC4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1cc(CC)nn1CC
InChIInChI=1S/C15H19ClN4O/c1-3-11-8-12(20(4-2)19-11)9-21-14-7-10(16)5-6-13(14)15(17)18/h5-8H,3-4,9H2,1-2H3,(H3,17,18)
InChIKeyPNNNHYSNNXBYTI-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.98
Rot. Bonds6

About 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide

4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide (PubChem CID 114323567) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
PubChem CID114323567
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1cc(CC)nn1CC
InChIInChI=1S/C15H19ClN4O/c1-3-11-8-12(20(4-2)19-11)9-21-14-7-10(16)5-6-13(14)15(17)18/h5-8H,3-4,9H2,1-2H3,(H3,17,18)
InChIKeyPNNNHYSNNXBYTI-UHFFFAOYSA-N
XLogP2.98
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323401
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide (CID 114323567) is 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCc1cc(CC)nn1CC.
What is the InChIKey of 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide?
The InChIKey is PNNNHYSNNXBYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-11-8-12(20(4-2)19-11)9-21-14-7-10(16)5-6-13(14)15(17)18/h5-8H,3-4,9H2,1-2H3,(H3,17,18).
What are the key properties of 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide?
4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide has a molecular weight of 306.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114323567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).