5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile

C15H12N4O — CID 115777643

IUPAC5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccccc2-n2cccn2)o1
InChIInChI=1S/C15H12N4O/c16-10-12-6-7-13(20-12)11-17-14-4-1-2-5-15(14)19-9-3-8-18-19/h1-9,17H,11H2
InChIKeyMNQGLLZEPHSEOP-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.95
Rot. Bonds4

About 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile

5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile (PubChem CID 115777643) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
PubChem CID115777643
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2ccccc2-n2cccn2)o1
InChIInChI=1S/C15H12N4O/c16-10-12-6-7-13(20-12)11-17-14-4-1-2-5-15(14)19-9-3-8-18-19/h1-9,17H,11H2
InChIKeyMNQGLLZEPHSEOP-UHFFFAOYSA-N
XLogP2.95
TPSA66.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
N-[(5-chlorofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 60780238
5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile
CID 115697836
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
5-[(2-bromo-3-chloroanilino)methyl]furan-2-carbonitrile
CID 103478709
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
5-[[2-(ethoxymethyl)anilino]methyl]furan-2-carbonitrile
CID 115671175
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
CID 114555172
5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile
CID 102847714
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile (CID 115777643) is 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2ccccc2-n2cccn2)o1.
What is the InChIKey of 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile?
The InChIKey is MNQGLLZEPHSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-10-12-6-7-13(20-12)11-17-14-4-1-2-5-15(14)19-9-3-8-18-19/h1-9,17H,11H2.
What are the key properties of 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile?
5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115777643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).