(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine

C11H10BrClIN3 — CID 114030271

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
SMILESCn1ncc(Br)c1C(N)c1cc(Cl)ccc1I
InChIInChI=1S/C11H10BrClIN3/c1-17-11(8(12)5-16-17)10(15)7-4-6(13)2-3-9(7)14/h2-5,10H,15H2,1H3
InChIKeyJJWPNHSLDDDYIN-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.49
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine

(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine (PubChem CID 114030271) has the molecular formula C11H10BrClIN3 and a molecular weight of 426.48 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
PubChem CID114030271
Molecular FormulaC11H10BrClIN3
Molecular Weight426.48 g/mol
Exact Mass424.88
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
SMILESCn1ncc(Br)c1C(N)c1cc(Cl)ccc1I
InChIInChI=1S/C11H10BrClIN3/c1-17-11(8(12)5-16-17)10(15)7-4-6(13)2-3-9(7)14/h2-5,10H,15H2,1H3
InChIKeyJJWPNHSLDDDYIN-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054403
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine (CID 114030271) is (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine is Cn1ncc(Br)c1C(N)c1cc(Cl)ccc1I.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine?
The InChIKey is JJWPNHSLDDDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClIN3/c1-17-11(8(12)5-16-17)10(15)7-4-6(13)2-3-9(7)14/h2-5,10H,15H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine has a molecular weight of 426.48 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine is sourced from PubChem (CID 114030271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).