4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide

C10H8BrClN4 — CID 62948544

IUPAC4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cc(Br)cn2)cc1Cl
InChIInChI=1S/C10H8BrClN4/c11-6-4-15-16(5-6)7-1-2-8(10(13)14)9(12)3-7/h1-5H,(H3,13,14)
InChIKeyPIUHBNCUVQZUNI-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.57
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide

4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide (PubChem CID 62948544) has the molecular formula C10H8BrClN4 and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide
PubChem CID62948544
Molecular FormulaC10H8BrClN4
Molecular Weight299.56 g/mol
Exact Mass297.96
IUPAC Name4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2cc(Br)cn2)cc1Cl
InChIInChI=1S/C10H8BrClN4/c11-6-4-15-16(5-6)7-1-2-8(10(13)14)9(12)3-7/h1-5H,(H3,13,14)
InChIKeyPIUHBNCUVQZUNI-UHFFFAOYSA-N
XLogP2.57
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 52.57
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'}

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Related Compounds

2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
CID 81303223
2-chloro-4-indazol-1-ylbenzenecarboximidamide
CID 62948880
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 62947696
2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
CID 61035552
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
CID 54910433
2-amino-5-(4-bromopyrazol-1-yl)phenol
CID 178025198
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
CID 62947534

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide (CID 62948544) is 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2cc(Br)cn2)cc1Cl.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide?
The InChIKey is PIUHBNCUVQZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4/c11-6-4-15-16(5-6)7-1-2-8(10(13)14)9(12)3-7/h1-5H,(H3,13,14).
What are the key properties of 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide?
4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide has a molecular weight of 299.56 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 62948544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).