(2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C17H28N4O2 — CID 53193449

IUPAC(2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-2-21-16(6-8-18-21)17(22)20-9-4-3-5-15(20)7-10-19-11-13-23-14-12-19/h6,8,15H,2-5,7,9-14H2,1H3
InChIKeyWRSBZZQSFSCLFM-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.62
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 53193449) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID53193449
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-2-21-16(6-8-18-21)17(22)20-9-4-3-5-15(20)7-10-19-11-13-23-14-12-19/h6,8,15H,2-5,7,9-14H2,1H3
InChIKeyWRSBZZQSFSCLFM-UHFFFAOYSA-N
XLogP1.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

isobutyl 3-(piperidin-1-ylcarbonyl)-1H-pyrazole-1-carboxylate
CID 3243745
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylpyrazol-3-yl)methanone
CID 6469573
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
4-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-2-ethyl-1-isopropylpiperazine
CID 72911903
9-(1-Methyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 110203871

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 53193449) is (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is WRSBZZQSFSCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-21-16(6-8-18-21)17(22)20-9-4-3-5-15(20)7-10-19-11-13-23-14-12-19/h6,8,15H,2-5,7,9-14H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53193449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).