[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone

C20H28N4O2 — CID 119492158

IUPAC[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
SMILESCNC1CCCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)C1
InChIInChI=1S/C20H28N4O2/c1-15(2)14-26-18-13-24(17-9-5-4-6-10-17)22-19(18)20(25)23-11-7-8-16(12-23)21-3/h4-6,9-10,13,15-16,21H,7-8,11-12,14H2,1-3H3
InChIKeyWKTAJJHUAQOHSD-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.73
Rot. Bonds6

About [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone

[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone (PubChem CID 119492158) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
PubChem CID119492158
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
SMILESCNC1CCCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)C1
InChIInChI=1S/C20H28N4O2/c1-15(2)14-26-18-13-24(17-9-5-4-6-10-17)22-19(18)20(25)23-11-7-8-16(12-23)21-3/h4-6,9-10,13,15-16,21H,7-8,11-12,14H2,1-3H3
InChIKeyWKTAJJHUAQOHSD-UHFFFAOYSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone with MolForge

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
CID 119638258
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119647294
5-methyl-1-[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122118295
(3R,4R)-4-cyclopropyl-1-[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120978923
(3S)-1-(4-ethoxy-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 99638837
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 120809106
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119453024
(4-ethoxy-1-phenylpyrazol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429819
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
4-[3-(methylamino)piperidine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 119492763

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone (CID 119492158) is [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone is CNC1CCCN(C(=O)c2nn(-c3ccccc3)cc2OCC(C)C)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone?
The InChIKey is WKTAJJHUAQOHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)14-26-18-13-24(17-9-5-4-6-10-17)22-19(18)20(25)23-11-7-8-16(12-23)21-3/h4-6,9-10,13,15-16,21H,7-8,11-12,14H2,1-3H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone?
[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone is sourced from PubChem (CID 119492158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).