[5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol

C15H14FN3O2 — CID 67604286

IUPAC[5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol
SMILESNc1n[nH]c(-c2ccc(CO)o2)c1Cc1ccccc1F
InChIInChI=1S/C15H14FN3O2/c16-12-4-2-1-3-9(12)7-11-14(18-19-15(11)17)13-6-5-10(8-20)21-13/h1-6,20H,7-8H2,(H3,17,18,19)
InChIKeyQPUDOAMREKAAMG-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.47
Rot. Bonds4

About [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol

[5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol (PubChem CID 67604286) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol
PubChem CID67604286
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name[5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol
SMILESNc1n[nH]c(-c2ccc(CO)o2)c1Cc1ccccc1F
InChIInChI=1S/C15H14FN3O2/c16-12-4-2-1-3-9(12)7-11-14(18-19-15(11)17)13-6-5-10(8-20)21-13/h1-6,20H,7-8H2,(H3,17,18,19)
InChIKeyQPUDOAMREKAAMG-UHFFFAOYSA-N
XLogP2.47
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol?
The IUPAC name of [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol (CID 67604286) is [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol is Nc1n[nH]c(-c2ccc(CO)o2)c1Cc1ccccc1F.
What is the InChIKey of [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol?
The InChIKey is QPUDOAMREKAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-4-2-1-3-9(12)7-11-14(18-19-15(11)17)13-6-5-10(8-20)21-13/h1-6,20H,7-8H2,(H3,17,18,19).
What are the key properties of [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol?
[5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol has a molecular weight of 287.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol is sourced from PubChem (CID 67604286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).