1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine

C9H8BrClN4 — CID 114836524

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ncc(Cl)cc2Br)nc1N
InChIInChI=1S/C9H8BrClN4/c1-5-4-15(14-8(5)12)9-7(10)2-6(11)3-13-9/h2-4H,1H3,(H2,12,14)
InChIKeyIFGMGMFQONTKQU-UHFFFAOYSA-N
MW287.55 g/mol
LogP2.57
Rot. Bonds1

About 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine

1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine (PubChem CID 114836524) has the molecular formula C9H8BrClN4 and a molecular weight of 287.55 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine
PubChem CID114836524
Molecular FormulaC9H8BrClN4
Molecular Weight287.55 g/mol
Exact Mass285.96
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ncc(Cl)cc2Br)nc1N
InChIInChI=1S/C9H8BrClN4/c1-5-4-15(14-8(5)12)9-7(10)2-6(11)3-13-9/h2-4H,1H3,(H2,12,14)
InChIKeyIFGMGMFQONTKQU-UHFFFAOYSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
3-bromo-5-chloro-2-(3-cyclopropylpyrazol-1-yl)pyridine
CID 114837471
4-bromo-1-(5-bromo-4-methyl-2-pyridinyl)pyrazol-3-amine
CID 114869716
3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 114837465
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
CID 114836322
1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 107627899
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
CID 114837207
2-(3,5-dichloro-2-pyridinyl)-5-methyltriazol-4-amine
CID 97057710
4-methyl-1-(5-methyl-3-pyridinyl)pyrazol-3-amine
CID 115375127
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
4-(3-bromo-5-chloro-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 114837132

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine (CID 114836524) is 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine is Cc1cn(-c2ncc(Cl)cc2Br)nc1N.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine?
The InChIKey is IFGMGMFQONTKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN4/c1-5-4-15(14-8(5)12)9-7(10)2-6(11)3-13-9/h2-4H,1H3,(H2,12,14).
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine?
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine has a molecular weight of 287.55 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 114836524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).