3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde

C17H18N4O2 — CID 19621330

IUPAC3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde
SMILESCCn1cc(-c2ccn(Cc3cc(C=O)ccc3OC)n2)cn1
InChIInChI=1S/C17H18N4O2/c1-3-20-11-15(9-18-20)16-6-7-21(19-16)10-14-8-13(12-22)4-5-17(14)23-2/h4-9,11-12H,3,10H2,1-2H3
InChIKeyJJIYGHVAZIDQAE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.64
Rot. Bonds6

About 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde

3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde (PubChem CID 19621330) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde
PubChem CID19621330
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde
SMILESCCn1cc(-c2ccn(Cc3cc(C=O)ccc3OC)n2)cn1
InChIInChI=1S/C17H18N4O2/c1-3-20-11-15(9-18-20)16-6-7-21(19-16)10-14-8-13(12-22)4-5-17(14)23-2/h4-9,11-12H,3,10H2,1-2H3
InChIKeyJJIYGHVAZIDQAE-UHFFFAOYSA-N
XLogP2.64
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde 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

3-[(4-chloropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 3589177
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 55040995
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
(E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(1-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19563468
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 708263
3-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 66309771
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
4-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623193
3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzaldehyde
CID 55147721
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
3-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 66307777

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde (CID 19621330) is 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde is CCn1cc(-c2ccn(Cc3cc(C=O)ccc3OC)n2)cn1.
What is the InChIKey of 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde?
The InChIKey is JJIYGHVAZIDQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-20-11-15(9-18-20)16-6-7-21(19-16)10-14-8-13(12-22)4-5-17(14)23-2/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde?
3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde has a molecular weight of 310.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 19621330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).