3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine

C12H9BrN4 — CID 167892380

IUPAC3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1cn[nH]c1
InChIInChI=1S/C12H9BrN4/c13-10-5-8-3-1-2-4-11(8)17-12(10)16-9-6-14-15-7-9/h1-7H,(H,14,15)(H,16,17)
InChIKeyPWVXCMNKLGOXJD-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.46
Rot. Bonds2

About 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine

3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine (PubChem CID 167892380) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine
PubChem CID167892380
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine
SMILESBrc1cc2ccccc2nc1Nc1cn[nH]c1
InChIInChI=1S/C12H9BrN4/c13-10-5-8-3-1-2-4-11(8)17-12(10)16-9-6-14-15-7-9/h1-7H,(H,14,15)(H,16,17)
InChIKeyPWVXCMNKLGOXJD-UHFFFAOYSA-N
XLogP3.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-pyridazin-3-ylquinolin-2-amine
CID 102471995
4-N-(3-chlorophenyl)-2-N-(1H-pyrazol-4-yl)quinazoline-2,4-diamine
CID 155562073
2-N,3-N-bis(3,5-dibromophenyl)quinoxaline-2,3-diamine
CID 177346628
N-(2-methylphenyl)-1H-pyrazol-4-amine
CID 125450527
5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 130622125
3-(1H-pyrazol-4-yl)quinoline
CID 90943604
N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine
CID 43635550
1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62154124
N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine
CID 115017561
N-(2-ethylphenyl)-1H-pyrazol-4-amine
CID 125449698
N-phenyl-3-(phenyliminomethyl)quinolin-2-amine
CID 146000832

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine?
The IUPAC name of 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine (CID 167892380) is 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine.
What is the SMILES notation for 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine?
The canonical SMILES for 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine is Brc1cc2ccccc2nc1Nc1cn[nH]c1.
What is the InChIKey of 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine?
The InChIKey is PWVXCMNKLGOXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-10-5-8-3-1-2-4-11(8)17-12(10)16-9-6-14-15-7-9/h1-7H,(H,14,15)(H,16,17).
What are the key properties of 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine?
3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine has a molecular weight of 289.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-pyrazol-4-yl)quinolin-2-amine is sourced from PubChem (CID 167892380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).