5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

C14H23N3O — CID 63158446

IUPAC5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCC1(C)CCN(c2c(C=O)c(C)nn2C)CC1
InChIInChI=1S/C14H23N3O/c1-5-14(3)6-8-17(9-7-14)13-12(10-18)11(2)15-16(13)4/h10H,5-9H2,1-4H3
InChIKeyQVLCFUFRJCYTHW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.56
Rot. Bonds3

About 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 63158446) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID63158446
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCC1(C)CCN(c2c(C=O)c(C)nn2C)CC1
InChIInChI=1S/C14H23N3O/c1-5-14(3)6-8-17(9-7-14)13-12(10-18)11(2)15-16(13)4/h10H,5-9H2,1-4H3
InChIKeyQVLCFUFRJCYTHW-UHFFFAOYSA-N
XLogP2.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.56
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

5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 65281403
5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 61441855
5-(4-butan-2-ylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 62773068
5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952250
5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde
CID 55158986
5-(3,4-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 79189203
3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 76981083
1,3-dimethyl-5-(2-methyl-3,5-dioxopiperazin-1-yl)pyrazole-4-carbaldehyde
CID 66060782
1-[5-(4,4-diethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63158522
4-ethyl-4-methylpiperidine-1-carbaldehyde
CID 64992637
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63757489
2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 55158334

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 63158446) is 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is CCC1(C)CCN(c2c(C=O)c(C)nn2C)CC1.
What is the InChIKey of 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is QVLCFUFRJCYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-14(3)6-8-17(9-7-14)13-12(10-18)11(2)15-16(13)4/h10H,5-9H2,1-4H3.
What are the key properties of 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 249.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 63158446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).