2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde

C18H14F2N2O2 — CID 177176021

IUPAC2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde
SMILESCc1c(-c2ccc(C=O)c(OC(F)F)c2)cnn1-c1ccccc1
InChIInChI=1S/C18H14F2N2O2/c1-12-16(10-21-22(12)15-5-3-2-4-6-15)13-7-8-14(11-23)17(9-13)24-18(19)20/h2-11,18H,1H3
InChIKeyIFGZXEUGZMCCOL-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.26
Rot. Bonds5

About 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde

2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde (PubChem CID 177176021) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde
PubChem CID177176021
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde
SMILESCc1c(-c2ccc(C=O)c(OC(F)F)c2)cnn1-c1ccccc1
InChIInChI=1S/C18H14F2N2O2/c1-12-16(10-21-22(12)15-5-3-2-4-6-15)13-7-8-14(11-23)17(9-13)24-18(19)20/h2-11,18H,1H3
InChIKeyIFGZXEUGZMCCOL-UHFFFAOYSA-N
XLogP4.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.26
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

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
(2-Hydroxy-5-methoxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 2414358
(E)-1-(2,5-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 9028330
(E)-1-(2,5-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 40606425
1-(2''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-3-carboxamide
CID 49866006
4-[5-(1,5-Dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
CID 155514353
3-[4-(difluoromethoxy)phenyl]-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 2356900
[1-(3,4-Difluorophenyl)-1H-pyrazol-4-yl](2-hydroxy-4-methylphenyl)methanone
CID 49866080
2-(2-Fluorophenoxy)-4-(1-methyl-1H-pyrazol-5-yl)benzamide
CID 146019721
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 693094
1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazole-4-carbaldehyde
CID 2119468
5-(3-Fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 16462465

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde?
The IUPAC name of 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde (CID 177176021) is 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde?
The canonical SMILES for 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde is Cc1c(-c2ccc(C=O)c(OC(F)F)c2)cnn1-c1ccccc1.
What is the InChIKey of 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde?
The InChIKey is IFGZXEUGZMCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-12-16(10-21-22(12)15-5-3-2-4-6-15)13-7-8-14(11-23)17(9-13)24-18(19)20/h2-11,18H,1H3.
What are the key properties of 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde?
2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde has a molecular weight of 328.32 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(5-methyl-1-phenylpyrazol-4-yl)benzaldehyde is sourced from PubChem (CID 177176021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).