2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde

C12H11FN2O — CID 83887983

IUPAC2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
SMILESCc1c(CC=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-9-10(6-7-16)8-14-15(9)12-4-2-11(13)3-5-12/h2-5,7-8H,6H2,1H3
InChIKeyGVBKWGOCXXUMKX-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.06
Rot. Bonds3

About 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde (PubChem CID 83887983) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
PubChem CID83887983
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
SMILESCc1c(CC=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-9-10(6-7-16)8-14-15(9)12-4-2-11(13)3-5-12/h2-5,7-8H,6H2,1H3
InChIKeyGVBKWGOCXXUMKX-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170879426
2-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83896284
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892804
1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid
CID 165453860
2-(1,5-diphenylpyrazol-4-yl)acetaldehyde
CID 54061818
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254826
[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
CID 115068469
6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944699
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde (CID 83887983) is 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde is Cc1c(CC=O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde?
The InChIKey is GVBKWGOCXXUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9-10(6-7-16)8-14-15(9)12-4-2-11(13)3-5-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde?
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde has a molecular weight of 218.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde is sourced from PubChem (CID 83887983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).