3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde

C12H14N4O — CID 146258509

IUPAC3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESCNCCc1nn(-c2ccccn2)cc1C=O
InChIInChI=1S/C12H14N4O/c1-13-7-5-11-10(9-17)8-16(15-11)12-4-2-3-6-14-12/h2-4,6,8-9,13H,5,7H2,1H3
InChIKeyFSSOMFVKVFAEJR-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.84
Rot. Bonds5

About 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde

3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde (PubChem CID 146258509) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde
PubChem CID146258509
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESCNCCc1nn(-c2ccccn2)cc1C=O
InChIInChI=1S/C12H14N4O/c1-13-7-5-11-10(9-17)8-16(15-11)12-4-2-3-6-14-12/h2-4,6,8-9,13H,5,7H2,1H3
InChIKeyFSSOMFVKVFAEJR-UHFFFAOYSA-N
XLogP0.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-ethylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 61333576
3-(3,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63750754
3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324089
3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 88898838
1-pyridin-2-yl-3-thiophen-3-ylpyrazole-4-carbaldehyde
CID 62090121
3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 113437642
2-(3,4-ditert-butylpyrazol-1-yl)pyridine
CID 164762760
3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 114798072
3-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 81041731
5-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carbaldehyde
CID 89296931
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-pyridin-2-ylindazole
CID 58814039

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde (CID 146258509) is 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde is CNCCc1nn(-c2ccccn2)cc1C=O.
What is the InChIKey of 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is FSSOMFVKVFAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-7-5-11-10(9-17)8-16(15-11)12-4-2-3-6-14-12/h2-4,6,8-9,13H,5,7H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde?
3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]-1-pyridin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 146258509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).