1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine

C15H14FN3O — CID 63278628

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H14FN3O/c1-10-13(6-7-20-10)14-8-15(17)19(18-14)9-11-2-4-12(16)5-3-11/h2-8H,9,17H2,1H3
InChIKeyYIEFXOGFOISHHQ-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.22
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine

1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 63278628) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
PubChem CID63278628
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H14FN3O/c1-10-13(6-7-20-10)14-8-15(17)19(18-14)9-11-2-4-12(16)5-3-11/h2-8H,9,17H2,1H3
InChIKeyYIEFXOGFOISHHQ-UHFFFAOYSA-N
XLogP3.22
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine (CID 63278628) is 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine is Cc1occc1-c1cc(N)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is YIEFXOGFOISHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10-13(6-7-20-10)14-8-15(17)19(18-14)9-11-2-4-12(16)5-3-11/h2-8H,9,17H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine?
1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 271.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 63278628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).