4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde

C33H41IN8O5 — CID 163972215

IUPAC4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde
SMILESC.Ic1ccncc1.O=Cc1ccn(C2CCCCO2)n1.O=Cc1ccn[nH]1.OC(c1ccncc1)c1ccn(C2CCCCO2)n1
InChIInChI=1S/C14H17N3O2.C9H12N2O2.C5H4IN.C4H4N2O.CH4/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;12-7-8-4-5-11(10-8)9-3-1-2-6-13-9;6-5-1-3-7-4-2-5;7-3-4-1-2-5-6-4;/h4-9,13-14,18H,1-3,10H2;4-5,7,9H,1-3,6H2;1-4H;1-3H,(H,5,6);1H4
InChIKeySQZDJFYHAHCZIP-UHFFFAOYSA-N
MW756.65 g/mol
LogP6.00
Rot. Bonds6

About 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde

4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde (PubChem CID 163972215) has the molecular formula C33H41IN8O5 and a molecular weight of 756.65 g/mol. Its IUPAC name is 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde
PubChem CID163972215
Molecular FormulaC33H41IN8O5
Molecular Weight756.65 g/mol
Exact Mass756.22
IUPAC Name4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde
SMILESC.Ic1ccncc1.O=Cc1ccn(C2CCCCO2)n1.O=Cc1ccn[nH]1.OC(c1ccncc1)c1ccn(C2CCCCO2)n1
InChIInChI=1S/C14H17N3O2.C9H12N2O2.C5H4IN.C4H4N2O.CH4/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;12-7-8-4-5-11(10-8)9-3-1-2-6-13-9;6-5-1-3-7-4-2-5;7-3-4-1-2-5-6-4;/h4-9,13-14,18H,1-3,10H2;4-5,7,9H,1-3,6H2;1-4H;1-3H,(H,5,6);1H4
InChIKeySQZDJFYHAHCZIP-UHFFFAOYSA-N
XLogP6.00
TPSA162.93 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500756.65
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde 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

5-methyl-1H-pyrazole-3-carbaldehyde;5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
CID 163550659
Magnesium;dioxomanganese;ethane;4-methylpyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;bromide
CID 163612014
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethanone;4-[1-[1-(2,2-difluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;2,2-difluoroethyl trifluoromethanesulfonate;4-iodopyridine;1-(1H-pyrazol-5-yl)ethanone;zinc
CID 163797632
4-Iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;ZINC
CID 163885219
magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide
CID 163570902
[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc
CID 163729308

Frequently Asked Questions

What is the IUPAC name of 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde (CID 163972215) is 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde is C.Ic1ccncc1.O=Cc1ccn(C2CCCCO2)n1.O=Cc1ccn[nH]1.OC(c1ccncc1)c1ccn(C2CCCCO2)n1.
What is the InChIKey of 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde?
The InChIKey is SQZDJFYHAHCZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.C9H12N2O2.C5H4IN.C4H4N2O.CH4/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;12-7-8-4-5-11(10-8)9-3-1-2-6-13-9;6-5-1-3-7-4-2-5;7-3-4-1-2-5-6-4;/h4-9,13-14,18H,1-3,10H2;4-5,7,9H,1-3,6H2;1-4H;1-3H,(H,5,6);1H4.
What are the key properties of 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde?
4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde has a molecular weight of 756.65 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyridine;methane;1-(oxan-2-yl)pyrazole-3-carbaldehyde;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 163972215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).