N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine

C16H16FN3O — CID 104954383

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O/c1-11-15(10-20(2)19-11)18-9-14-7-8-16(21-14)12-3-5-13(17)6-4-12/h3-8,10,18H,9H2,1-2H3
InChIKeyVVVXUGMQOITONV-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.74
Rot. Bonds4

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 104954383) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID104954383
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O/c1-11-15(10-20(2)19-11)18-9-14-7-8-16(21-14)12-3-5-13(17)6-4-12/h3-8,10,18H,9H2,1-2H3
InChIKeyVVVXUGMQOITONV-UHFFFAOYSA-N
XLogP3.74
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine (CID 104954383) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is VVVXUGMQOITONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11-15(10-20(2)19-11)18-9-14-7-8-16(21-14)12-3-5-13(17)6-4-12/h3-8,10,18H,9H2,1-2H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 285.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104954383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).