1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine

C21H19FN4O — CID 46982384

IUPAC1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine
SMILESFc1ccc(CN(Cc2ccncc2)Cc2ccc(-c3ccn[nH]3)o2)cc1
InChIInChI=1S/C21H19FN4O/c22-18-3-1-16(2-4-18)13-26(14-17-7-10-23-11-8-17)15-19-5-6-21(27-19)20-9-12-24-25-20/h1-12H,13-15H2,(H,24,25)
InChIKeyQZRSUYHFVSRCHO-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.41
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine

1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 46982384) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID46982384
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine
SMILESFc1ccc(CN(Cc2ccncc2)Cc2ccc(-c3ccn[nH]3)o2)cc1
InChIInChI=1S/C21H19FN4O/c22-18-3-1-16(2-4-18)13-26(14-17-7-10-23-11-8-17)15-19-5-6-21(27-19)20-9-12-24-25-20/h1-12H,13-15H2,(H,24,25)
InChIKeyQZRSUYHFVSRCHO-UHFFFAOYSA-N
XLogP4.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-Methyl-2-furyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872294
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
4-(Furan-3-Yl)-3-Phenyl-2~{h}-Pyrazolo[4,3-C]pyridine
CID 119025602
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899793
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6901353
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 6905845
1-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-2-ylpiperazine
CID 16187231
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-2-pyridin-4-ylethanamine
CID 16190175
2-[2-(1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}piperidin-2-yl)ethyl]pyridine
CID 16191107
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
CID 16192147

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine (CID 46982384) is 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine is Fc1ccc(CN(Cc2ccncc2)Cc2ccc(-c3ccn[nH]3)o2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is QZRSUYHFVSRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-18-3-1-16(2-4-18)13-26(14-17-7-10-23-11-8-17)15-19-5-6-21(27-19)20-9-12-24-25-20/h1-12H,13-15H2,(H,24,25).
What are the key properties of 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 362.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 46982384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).