2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline

C15H13BrN4 — CID 105367559

IUPAC2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline
SMILESCc1cnc(-n2cc(-c3ccccc3N)cn2)c(Br)c1
InChIInChI=1S/C15H13BrN4/c1-10-6-13(16)15(18-7-10)20-9-11(8-19-20)12-4-2-3-5-14(12)17/h2-9H,17H2,1H3
InChIKeyKGIUPINITMCXGM-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.59
Rot. Bonds2

About 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline

2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline (PubChem CID 105367559) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline
PubChem CID105367559
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline
SMILESCc1cnc(-n2cc(-c3ccccc3N)cn2)c(Br)c1
InChIInChI=1S/C15H13BrN4/c1-10-6-13(16)15(18-7-10)20-9-11(8-19-20)12-4-2-3-5-14(12)17/h2-9H,17H2,1H3
InChIKeyKGIUPINITMCXGM-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79534571
2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline
CID 115993989
3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine
CID 105367487
5-bromo-4-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 104507188
2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline
CID 63338130
3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile
CID 63338608
3-[4-(2-aminophenyl)pyrazol-1-yl]-1-ethylpyrazin-2-one
CID 63338040
2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 63338477
4-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79176732
2-[1-(1,3-benzoxazol-2-yl)pyrazol-4-yl]aniline
CID 63338651
3-(2-aminophenyl)-5-methylpyridin-2-amine
CID 143431930
2-(1-imidazo[1,2-a]pyridin-5-ylpyrazol-4-yl)aniline
CID 102626693

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline?
The IUPAC name of 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline (CID 105367559) is 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline.
What is the SMILES notation for 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline?
The canonical SMILES for 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline is Cc1cnc(-n2cc(-c3ccccc3N)cn2)c(Br)c1.
What is the InChIKey of 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline?
The InChIKey is KGIUPINITMCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-10-6-13(16)15(18-7-10)20-9-11(8-19-20)12-4-2-3-5-14(12)17/h2-9H,17H2,1H3.
What are the key properties of 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline?
2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline has a molecular weight of 329.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-methyl-2-pyridinyl)pyrazol-4-yl]aniline is sourced from PubChem (CID 105367559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).