N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide

C18H25N5O2 — CID 72843451

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(CCOc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C18H25N5O2/c1-15-14-17(21(2)20-15)19-18(24)23-10-8-22(9-11-23)12-13-25-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,19,24)
InChIKeyFZWIWMBXLNQVAU-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.96
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 72843451) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID72843451
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(CCOc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C18H25N5O2/c1-15-14-17(21(2)20-15)19-18(24)23-10-8-22(9-11-23)12-13-25-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,19,24)
InChIKeyFZWIWMBXLNQVAU-UHFFFAOYSA-N
XLogP1.96
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 86285777
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72862145
4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72879757
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 24610345
2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 127685633
4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124608403

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide (CID 72843451) is N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(CCOc3ccccc3)CC2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is FZWIWMBXLNQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15-14-17(21(2)20-15)19-18(24)23-10-8-22(9-11-23)12-13-25-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,19,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 72843451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).