(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

C22H26N4O2 — CID 52907337

IUPAC(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-28-20-9-8-18-6-3-4-7-19(18)21(20)22(27)25-15-12-24(13-16-25)14-17-26-11-5-10-23-26/h3-11H,2,12-17H2,1H3
InChIKeyJQHFTOMDOGOEGJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.89
Rot. Bonds6

About (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 52907337) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID52907337
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-28-20-9-8-18-6-3-4-7-19(18)21(20)22(27)25-15-12-24(13-16-25)14-17-26-11-5-10-23-26/h3-11H,2,12-17H2,1H3
InChIKeyJQHFTOMDOGOEGJ-UHFFFAOYSA-N
XLogP2.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
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benzyl 2-[4-(2-ethoxynaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate
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(5-chloro-2-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
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(2-ethoxynaphthalen-1-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
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(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
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(2-ethoxynaphthalen-1-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (CID 52907337) is (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is CCOc1ccc2ccccc2c1C(=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is JQHFTOMDOGOEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-28-20-9-8-18-6-3-4-7-19(18)21(20)22(27)25-15-12-24(13-16-25)14-17-26-11-5-10-23-26/h3-11H,2,12-17H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 52907337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).