2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide

C14H17BrN4 — CID 107279465

IUPAC2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(CC)cc2CC)cc1Br
InChIInChI=1S/C14H17BrN4/c1-3-9-7-10(4-2)19(18-9)11-5-6-12(14(16)17)13(15)8-11/h5-8H,3-4H2,1-2H3,(H3,16,17)
InChIKeyCPLAQMTWCOWNIK-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide

2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide (PubChem CID 107279465) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide
PubChem CID107279465
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(CC)cc2CC)cc1Br
InChIInChI=1S/C14H17BrN4/c1-3-9-7-10(4-2)19(18-9)11-5-6-12(14(16)17)13(15)8-11/h5-8H,3-4H2,1-2H3,(H3,16,17)
InChIKeyCPLAQMTWCOWNIK-UHFFFAOYSA-N
XLogP3.04
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 107282940
[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol
CID 114060384
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
4-(3,5-diethylpyrazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82693934
2-bromo-4-propylsulfanylbenzenecarboximidamide
CID 107279933
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
2-bromo-6-(3,5-diethylpyrazol-1-yl)benzenecarbothioamide
CID 114882799
2-(3,5-diethylpyrazol-1-yl)ethanimidamide
CID 82695399
4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 114323567
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
CID 107279256
2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 107279188

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide (CID 107279465) is 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2nc(CC)cc2CC)cc1Br.
What is the InChIKey of 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide?
The InChIKey is CPLAQMTWCOWNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-9-7-10(4-2)19(18-9)11-5-6-12(14(16)17)13(15)8-11/h5-8H,3-4H2,1-2H3,(H3,16,17).
What are the key properties of 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide?
2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide has a molecular weight of 321.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107279465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).