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

C16H16FN3O — CID 43433346

IUPAC1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O/c1-11-2-7-15(21-11)16-13(10-19-20-16)9-18-8-12-3-5-14(17)6-4-12/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyACIUGZFXQDUSSS-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.41
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 43433346) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID43433346
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O/c1-11-2-7-15(21-11)16-13(10-19-20-16)9-18-8-12-3-5-14(17)6-4-12/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyACIUGZFXQDUSSS-UHFFFAOYSA-N
XLogP3.41
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 86808570
2-chloro-4-fluoro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 43774028
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
CID 43775405
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767
2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 103081047
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine (CID 43433346) is 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine is Cc1ccc(-c2[nH]ncc2CNCc2ccc(F)cc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is ACIUGZFXQDUSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11-2-7-15(21-11)16-13(10-19-20-16)9-18-8-12-3-5-14(17)6-4-12/h2-7,10,18H,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 43433346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).