[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

C21H25N5O2 — CID 72876290

IUPAC[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C21H25N5O2/c1-28-15-14-24-13-9-22-20(24)17-6-11-25(12-7-17)21(27)18-4-2-5-19(16-18)26-10-3-8-23-26/h2-5,8-10,13,16-17H,6-7,11-12,14-15H2,1H3
InChIKeyYMHRAMRTKQYWPT-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.73
Rot. Bonds6

About [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 72876290) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID72876290
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C21H25N5O2/c1-28-15-14-24-13-9-22-20(24)17-6-11-25(12-7-17)21(27)18-4-2-5-19(16-18)26-10-3-8-23-26/h2-5,8-10,13,16-17H,6-7,11-12,14-15H2,1H3
InChIKeyYMHRAMRTKQYWPT-UHFFFAOYSA-N
XLogP2.73
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 72876290) is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is COCCn1ccnc1C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1.
What is the InChIKey of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is YMHRAMRTKQYWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-15-14-24-13-9-22-20(24)17-6-11-25(12-7-17)21(27)18-4-2-5-19(16-18)26-10-3-8-23-26/h2-5,8-10,13,16-17H,6-7,11-12,14-15H2,1H3.
What are the key properties of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 379.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 72876290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).