2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

C18H25N5O2 — CID 86285777

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-15-13-17(19)23(20-15)14-18(24)22-9-7-21(8-10-22)11-12-25-16-5-3-2-4-6-16/h2-6,13H,7-12,14,19H2,1H3
InChIKeyXSOKTHGQUMBDKD-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.00
Rot. Bonds6

About 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (PubChem CID 86285777) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
PubChem CID86285777
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1cc(N)n(CC(=O)N2CCN(CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-15-13-17(19)23(20-15)14-18(24)22-9-7-21(8-10-22)11-12-25-16-5-3-2-4-6-16/h2-6,13H,7-12,14,19H2,1H3
InChIKeyXSOKTHGQUMBDKD-UHFFFAOYSA-N
XLogP1.00
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine
CID 63266275
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 24610345
2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 8850901
1-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 86977371
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
2-(5-amino-3-methylpyrazol-1-yl)-1-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)ethanone
CID 154565150
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (CID 86285777) is 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is Cc1cc(N)n(CC(=O)N2CCN(CCOc3ccccc3)CC2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is XSOKTHGQUMBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15-13-17(19)23(20-15)14-18(24)22-9-7-21(8-10-22)11-12-25-16-5-3-2-4-6-16/h2-6,13H,7-12,14,19H2,1H3.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86285777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).