[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone

C19H24ClN3O4 — CID 45239926

IUPAC[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1
InChIInChI=1S/C19H24ClN3O4/c1-25-12-14-5-3-4-8-23(14)19(24)17-9-13(21-22-17)11-27-18-7-6-15(26-2)10-16(18)20/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,22)
InChIKeyOZKWBLLIPUMOMO-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.29
Rot. Bonds7

About [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone

[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 45239926) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID45239926
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1
InChIInChI=1S/C19H24ClN3O4/c1-25-12-14-5-3-4-8-23(14)19(24)17-9-13(21-22-17)11-27-18-7-6-15(26-2)10-16(18)20/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,22)
InChIKeyOZKWBLLIPUMOMO-UHFFFAOYSA-N
XLogP3.29
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone 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

[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
CID 25285402
N-[(2R)-butan-2-yl]-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42197499
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95199427
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 56872792
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-4-hydroxybutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95394193
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56754413
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95217455
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56760280
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 45191198

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone (CID 45239926) is [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCCN1C(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1.
What is the InChIKey of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is OZKWBLLIPUMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-25-12-14-5-3-4-8-23(14)19(24)17-9-13(21-22-17)11-27-18-7-6-15(26-2)10-16(18)20/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,21,22).
What are the key properties of [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 393.87 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45239926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).