1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde

C10H9N3O — CID 118380728

IUPAC1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(Cc2ccccn2)c1
InChIInChI=1S/C10H9N3O/c14-8-9-5-12-13(6-9)7-10-3-1-2-4-11-10/h1-6,8H,7H2
InChIKeyLVNAKTSXOWVOFX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.14
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde

1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde (PubChem CID 118380728) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde
PubChem CID118380728
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(Cc2ccccn2)c1
InChIInChI=1S/C10H9N3O/c14-8-9-5-12-13(6-9)7-10-3-1-2-4-11-10/h1-6,8H,7H2
InChIKeyLVNAKTSXOWVOFX-UHFFFAOYSA-N
XLogP1.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.14
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

1-[(2-chloro-3-pyridinyl)methyl]pyrazole-4-carbaldehyde
CID 164719188
1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
CID 123739910
2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride
CID 161483819
1-(pyridin-2-ylmethyl)pyrrole-2-carbaldehyde
CID 3791494
1-[(2,3-dimethoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 118380635
4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 119047349
1-[2-[2-(4-formylpyrazol-1-yl)ethoxy]ethyl]pyrazole-4-carbaldehyde
CID 101441562
N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 86813351
1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carbaldehyde
CID 62727818
1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
CID 62726510
1-[[3,5-dimethyl-4-(pyridin-2-ylmethyl)phenyl]methyl]pyrazole-4-carboxylic acid
CID 171090685
2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 136534909

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde (CID 118380728) is 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde is O=Cc1cnn(Cc2ccccn2)c1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde?
The InChIKey is LVNAKTSXOWVOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-8-9-5-12-13(6-9)7-10-3-1-2-4-11-10/h1-6,8H,7H2.
What are the key properties of 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde?
1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 118380728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).