2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial

C20H21F2N3O3 — CID 177027932

IUPAC2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial
SMILESO=CCCC(C=O)c1c(F)cc(N2CCC(n3cc(C=O)cn3)CC2)cc1F
InChIInChI=1S/C20H21F2N3O3/c21-18-8-17(9-19(22)20(18)15(13-28)2-1-7-26)24-5-3-16(4-6-24)25-11-14(12-27)10-23-25/h7-13,15-16H,1-6H2
InChIKeyMUFJEZDNNHTQMO-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.08
Rot. Bonds8

About 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial

2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial (PubChem CID 177027932) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial
PubChem CID177027932
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial
SMILESO=CCCC(C=O)c1c(F)cc(N2CCC(n3cc(C=O)cn3)CC2)cc1F
InChIInChI=1S/C20H21F2N3O3/c21-18-8-17(9-19(22)20(18)15(13-28)2-1-7-26)24-5-3-16(4-6-24)25-11-14(12-27)10-23-25/h7-13,15-16H,1-6H2
InChIKeyMUFJEZDNNHTQMO-UHFFFAOYSA-N
XLogP3.08
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-tert-butylpyrrolidin-3-yl)pyrazole-4-carbaldehyde
CID 105477924
1-(1-phenylazetidin-3-yl)pyrazole-4-carbaldehyde
CID 139535553
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
CID 129369752
1-(2-hydroxycyclopentyl)pyrazole-4-carbaldehyde
CID 62713729
1-(1-cyclopropylpyrazol-4-yl)piperazine
CID 84772475
2-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)-7-azaspiro[3.5]nonan-7-yl]phenyl]-N-methyl-5-oxopentanamide
CID 177134552
2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]propanal
CID 174545062
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
4-[4-(azetidin-1-yl)pyrazol-1-yl]piperidine
CID 170777793
2-[2,6-difluoro-4-[(3S)-3-(hydroxymethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]phenyl]-N-methyl-5-oxopentanamide
CID 177028075
4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
CID 175357938
2-amino-5-[(3,5-difluorophenyl)methyl]-N'-methylbenzenecarboximidamide;1-piperidin-4-ylpyrazole-4-carbaldehyde
CID 143749288

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial?
The IUPAC name of 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial (CID 177027932) is 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial.
What is the SMILES notation for 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial?
The canonical SMILES for 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial is O=CCCC(C=O)c1c(F)cc(N2CCC(n3cc(C=O)cn3)CC2)cc1F.
What is the InChIKey of 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial?
The InChIKey is MUFJEZDNNHTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-18-8-17(9-19(22)20(18)15(13-28)2-1-7-26)24-5-3-16(4-6-24)25-11-14(12-27)10-23-25/h7-13,15-16H,1-6H2.
What are the key properties of 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial?
2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial has a molecular weight of 389.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[4-(4-formylpyrazol-1-yl)piperidin-1-yl]phenyl]pentanedial is sourced from PubChem (CID 177027932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).