N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

C14H12IN3O — CID 43790937

IUPACN-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESIc1ccc(CNc2cccc(-c3ccn[nH]3)c2)o1
InChIInChI=1S/C14H12IN3O/c15-14-5-4-12(19-14)9-16-11-3-1-2-10(8-11)13-6-7-17-18-13/h1-8,16H,9H2,(H,17,18)
InChIKeyLDERYVPKGSJCEI-UHFFFAOYSA-N
MW365.17 g/mol
LogP3.89
Rot. Bonds4

About N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43790937) has the molecular formula C14H12IN3O and a molecular weight of 365.17 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID43790937
Molecular FormulaC14H12IN3O
Molecular Weight365.17 g/mol
Exact Mass365.00
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESIc1ccc(CNc2cccc(-c3ccn[nH]3)c2)o1
InChIInChI=1S/C14H12IN3O/c15-14-5-4-12(19-14)9-16-11-3-1-2-10(8-11)13-6-7-17-18-13/h1-8,16H,9H2,(H,17,18)
InChIKeyLDERYVPKGSJCEI-UHFFFAOYSA-N
XLogP3.89
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092
N-[(2-bromophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745385
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745314
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
CID 43785167
2-chloro-6-[[3-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 115903776
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 43790937) is N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is Ic1ccc(CNc2cccc(-c3ccn[nH]3)c2)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is LDERYVPKGSJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O/c15-14-5-4-12(19-14)9-16-11-3-1-2-10(8-11)13-6-7-17-18-13/h1-8,16H,9H2,(H,17,18).
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 365.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43790937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).