[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone

C18H23N3O2 — CID 20918150

IUPAC[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]n2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-23-15-8-6-14(7-9-15)16-11-17(20-19-16)18(22)21-10-4-5-13(2)12-21/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20)
InChIKeyYBXXXJHTGFJJAG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.35
Rot. Bonds4

About [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone

[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 20918150) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID20918150
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]n2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-23-15-8-6-14(7-9-15)16-11-17(20-19-16)18(22)21-10-4-5-13(2)12-21/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20)
InChIKeyYBXXXJHTGFJJAG-UHFFFAOYSA-N
XLogP3.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20918147
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46446368
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
(5-bromofuran-2-yl)-[4-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910902
N-butyl-2-[4-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]acetamide
CID 46920420
[4-(cyclopentylmethyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70780803
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 154833106

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 20918150) is [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone is CCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]n2)cc1.
What is the InChIKey of [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YBXXXJHTGFJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-15-8-6-14(7-9-15)16-11-17(20-19-16)18(22)21-10-4-5-13(2)12-21/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20).
What are the key properties of [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 20918150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).