N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline

C14H11Br2N3O — CID 62085905

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
SMILESBrc1cc(CNc2ccccc2-n2cccn2)oc1Br
InChIInChI=1S/C14H11Br2N3O/c15-11-8-10(20-14(11)16)9-17-12-4-1-2-5-13(12)19-7-3-6-18-19/h1-8,17H,9H2
InChIKeyATUGMXQGXRGKMK-UHFFFAOYSA-N
MW397.07 g/mol
LogP4.60
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline

N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 62085905) has the molecular formula C14H11Br2N3O and a molecular weight of 397.07 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID62085905
Molecular FormulaC14H11Br2N3O
Molecular Weight397.07 g/mol
Exact Mass394.93
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
SMILESBrc1cc(CNc2ccccc2-n2cccn2)oc1Br
InChIInChI=1S/C14H11Br2N3O/c15-11-8-10(20-14(11)16)9-17-12-4-1-2-5-13(12)19-7-3-6-18-19/h1-8,17H,9H2
InChIKeyATUGMXQGXRGKMK-UHFFFAOYSA-N
XLogP4.60
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62083593
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 62085914
N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62085552
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 102832685
5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
CID 115777643
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
CID 62086085
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline (CID 62085905) is N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline is Brc1cc(CNc2ccccc2-n2cccn2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is ATUGMXQGXRGKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O/c15-11-8-10(20-14(11)16)9-17-12-4-1-2-5-13(12)19-7-3-6-18-19/h1-8,17H,9H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 397.07 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 62085905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).