3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide

C14H18N4O — CID 65470611

IUPAC3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCCn2cccn2)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-8-12(14(15)16)9-11(2)13(10)19-7-6-18-5-3-4-17-18/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16)
InChIKeyCBVZVPAYNCLGBM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.86
Rot. Bonds5

About 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide

3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide (PubChem CID 65470611) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide
PubChem CID65470611
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCCn2cccn2)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-8-12(14(15)16)9-11(2)13(10)19-7-6-18-5-3-4-17-18/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16)
InChIKeyCBVZVPAYNCLGBM-UHFFFAOYSA-N
XLogP1.86
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide?
The IUPAC name of 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide (CID 65470611) is 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(OCCn2cccn2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide?
The InChIKey is CBVZVPAYNCLGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-12(14(15)16)9-11(2)13(10)19-7-6-18-5-3-4-17-18/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16).
What are the key properties of 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide?
3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide has a molecular weight of 258.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-pyrazol-1-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 65470611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).