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

C13H11BrN4O — CID 106885249

IUPACN-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESBrc1ccoc1CNc1cccnc1-n1cccn1
InChIInChI=1S/C13H11BrN4O/c14-10-4-8-19-12(10)9-16-11-3-1-5-15-13(11)18-7-2-6-17-18/h1-8,16H,9H2
InChIKeyHUYFQRZVLXYKFX-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.23
Rot. Bonds4

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

N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 106885249) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
PubChem CID106885249
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESBrc1ccoc1CNc1cccnc1-n1cccn1
InChIInChI=1S/C13H11BrN4O/c14-10-4-8-19-12(10)9-16-11-3-1-5-15-13(11)18-7-2-6-17-18/h1-8,16H,9H2
InChIKeyHUYFQRZVLXYKFX-UHFFFAOYSA-N
XLogP3.23
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 62085914
N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 75505630
2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
CID 103880716
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
CID 113268291
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 104599717
4-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,3-diol
CID 43736967
N-pentyl-2-pyrazol-1-ylpyridin-3-amine
CID 43736889
4-fluoro-2-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]phenol
CID 107694361
N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine
CID 55066564
5-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]thiophene-3-carboxamide
CID 79611960
2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75415259

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine (CID 106885249) is N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine is Brc1ccoc1CNc1cccnc1-n1cccn1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is HUYFQRZVLXYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c14-10-4-8-19-12(10)9-16-11-3-1-5-15-13(11)18-7-2-6-17-18/h1-8,16H,9H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 319.16 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 106885249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).