3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde

C11H9FN2O2 — CID 106529609

IUPAC3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde
SMILESCn1cc(Oc2cc(F)cc(C=O)c2)cn1
InChIInChI=1S/C11H9FN2O2/c1-14-6-11(5-13-14)16-10-3-8(7-15)2-9(12)4-10/h2-7H,1H3
InChIKeyCYVXAQYFCISZDT-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.16
Rot. Bonds3

About 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde

3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde (PubChem CID 106529609) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde
PubChem CID106529609
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde
SMILESCn1cc(Oc2cc(F)cc(C=O)c2)cn1
InChIInChI=1S/C11H9FN2O2/c1-14-6-11(5-13-14)16-10-3-8(7-15)2-9(12)4-10/h2-7H,1H3
InChIKeyCYVXAQYFCISZDT-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Difluoro-3-(2-pyrazol-1-ylethoxy)benzamide
CID 46236894
4-(3-acetylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 53563266
2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 46992436
[1-(Difluoromethyl)pyrazol-4-yl] 3,5-diethoxybenzoate
CID 69094560
3-Fluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792952
3,5-Difluoro-4-(1-methylpyrazol-4-yl)oxybenzaldehyde
CID 116792953
4-(1-Ethylpyrazol-4-yl)oxy-3,5-difluorobenzaldehyde
CID 116801825
3,5-Difluoro-4-(1-propylpyrazol-4-yl)oxybenzaldehyde
CID 116801850
3,5-Difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 116801875
4-[1-(1-Ethoxyethyl)pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
CID 118685924
3,5-Difluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]oxybenzaldehyde
CID 118685926
4-[1-[Bromo(difluoro)methyl]pyrazol-4-yl]oxy-3,5-difluorobenzaldehyde
CID 118686186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde?
The IUPAC name of 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde (CID 106529609) is 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde.
What is the SMILES notation for 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde?
The canonical SMILES for 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde is Cn1cc(Oc2cc(F)cc(C=O)c2)cn1.
What is the InChIKey of 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde?
The InChIKey is CYVXAQYFCISZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-14-6-11(5-13-14)16-10-3-8(7-15)2-9(12)4-10/h2-7H,1H3.
What are the key properties of 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde?
3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde has a molecular weight of 220.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1-methylpyrazol-4-yl)oxybenzaldehyde is sourced from PubChem (CID 106529609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).