(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone

C21H29N3O2 — CID 47736836

IUPAC(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCCOC1CCCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)C1
InChIInChI=1S/C21H29N3O2/c1-5-26-18-7-6-12-23(14-18)21(25)19-13-22-24(20(19)15(2)3)17-10-8-16(4)9-11-17/h8-11,13,15,18H,5-7,12,14H2,1-4H3
InChIKeyNCYZILRTKXAMOS-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.95
Rot. Bonds5

About (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone

(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone (PubChem CID 47736836) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
PubChem CID47736836
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCCOC1CCCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)C1
InChIInChI=1S/C21H29N3O2/c1-5-26-18-7-6-12-23(14-18)21(25)19-13-22-24(20(19)15(2)3)17-10-8-16(4)9-11-17/h8-11,13,15,18H,5-7,12,14H2,1-4H3
InChIKeyNCYZILRTKXAMOS-UHFFFAOYSA-N
XLogP3.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 124683333
N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119479456
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99638797
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
ethyl 1-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 46139157
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110885866
2-(4-fluorophenyl)-1-[4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 55657260
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone (CID 47736836) is (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone is CCOC1CCCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The InChIKey is NCYZILRTKXAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-5-26-18-7-6-12-23(14-18)21(25)19-13-22-24(20(19)15(2)3)17-10-8-16(4)9-11-17/h8-11,13,15,18H,5-7,12,14H2,1-4H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 47736836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).