2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde

C10H8FN3O — CID 117293129

IUPAC2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
SMILESNc1cc(-c2cc(F)ccc2C=O)[nH]n1
InChIInChI=1S/C10H8FN3O/c11-7-2-1-6(5-15)8(3-7)9-4-10(12)14-13-9/h1-5H,(H3,12,13,14)
InChIKeyFKLZFKAUPBBCHM-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.61
Rot. Bonds2

About 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde

2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde (PubChem CID 117293129) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
PubChem CID117293129
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
SMILESNc1cc(-c2cc(F)ccc2C=O)[nH]n1
InChIInChI=1S/C10H8FN3O/c11-7-2-1-6(5-15)8(3-7)9-4-10(12)14-13-9/h1-5H,(H3,12,13,14)
InChIKeyFKLZFKAUPBBCHM-UHFFFAOYSA-N
XLogP1.61
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde (CID 117293129) is 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde is Nc1cc(-c2cc(F)ccc2C=O)[nH]n1.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde?
The InChIKey is FKLZFKAUPBBCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-2-1-6(5-15)8(3-7)9-4-10(12)14-13-9/h1-5H,(H3,12,13,14).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde?
2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde is sourced from PubChem (CID 117293129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).