3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde

C14H14F3N3O — CID 107430932

IUPAC3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
SMILESCCc1nn(-c2ccc(C(F)(F)F)cn2)c(CC)c1C=O
InChIInChI=1S/C14H14F3N3O/c1-3-11-10(8-21)12(4-2)20(19-11)13-6-5-9(7-18-13)14(15,16)17/h5-8H,3-4H2,1-2H3
InChIKeyYAYPFIYKFIOSKZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.22
Rot. Bonds4

About 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde

3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde (PubChem CID 107430932) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
PubChem CID107430932
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
SMILESCCc1nn(-c2ccc(C(F)(F)F)cn2)c(CC)c1C=O
InChIInChI=1S/C14H14F3N3O/c1-3-11-10(8-21)12(4-2)20(19-11)13-6-5-9(7-18-13)14(15,16)17/h5-8H,3-4H2,1-2H3
InChIKeyYAYPFIYKFIOSKZ-UHFFFAOYSA-N
XLogP3.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.22
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-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66020937
2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66021139
2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid
CID 62409710
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
3,5-diethyl-1-(5-methyl-2-pyridinyl)pyrazol-4-amine
CID 82702145
5-ethyl-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 63561648
2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 134947582
2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline
CID 155580523
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381323
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381325
2,2,2-trifluoroacetic acid;(1S)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]ethanamine
CID 175898071
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde (CID 107430932) is 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde is CCc1nn(-c2ccc(C(F)(F)F)cn2)c(CC)c1C=O.
What is the InChIKey of 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
The InChIKey is YAYPFIYKFIOSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-3-11-10(8-21)12(4-2)20(19-11)13-6-5-9(7-18-13)14(15,16)17/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde?
3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde has a molecular weight of 297.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 107430932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).