N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine

C14H13BrN4O — CID 104652628

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESCC(Nc1cccnc1-n1cccn1)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN4O/c1-10(12-5-6-13(15)20-12)18-11-4-2-7-16-14(11)19-9-3-8-17-19/h2-10,18H,1H3
InChIKeyRSKQFRGZBLRGKF-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.80
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine

N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 104652628) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine
PubChem CID104652628
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESCC(Nc1cccnc1-n1cccn1)c1ccc(Br)o1
InChIInChI=1S/C14H13BrN4O/c1-10(12-5-6-13(15)20-12)18-11-4-2-7-16-14(11)19-9-3-8-17-19/h2-10,18H,1H3
InChIKeyRSKQFRGZBLRGKF-UHFFFAOYSA-N
XLogP3.80
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromofuran-2-yl)-N-cyclohexylimidazo[1,2-a]pyrimidin-3-amine
CID 4407881
Furan-2-ylmethyl-(1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-yl)-amine
CID 654251
5-bromo-N-(2-((6-(3-methyl-1H-pyrazol-1-yl)pyridazin-3-yl)amino)ethyl)furan-2-carboxamide
CID 16654419
1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 47052518
[(3,5-Dimethylpyrazolyl)(5-methyl(2-furyl))methyl](5-bromo(2-pyridyl))amine
CID 3608142
5-bromo-N-(2-((2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)furan-2-carboxamide
CID 30867976
5-Bromo-N-[2-(propan-2-YL)-[1,2,4]triazolo[1,5-A]pyridin-8-YL]furan-2-carboxamide
CID 87054153
N-(2-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-5-(methoxymethyl)furan-2-carboxamide
CID 60179938
5-bromo-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridin-3-amine
CID 71924074
N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 75376065
6-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]pyrazin-2-amine
CID 97787333
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
CID 99775115

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine (CID 104652628) is N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine is CC(Nc1cccnc1-n1cccn1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is RSKQFRGZBLRGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-10(12-5-6-13(15)20-12)18-11-4-2-7-16-14(11)19-9-3-8-17-19/h2-10,18H,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 333.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 104652628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).