N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide

C16H29N5O2 — CID 110905588

IUPACN-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2c(C)nn(CCO)c2C)CC1
InChIInChI=1S/C16H29N5O2/c1-4-17-16(23)12-20-7-5-19(6-8-20)11-15-13(2)18-21(9-10-22)14(15)3/h22H,4-12H2,1-3H3,(H,17,23)
InChIKeyBXNLNYIFZJZVGA-UHFFFAOYSA-N
MW323.44 g/mol
LogP-0.25
Rot. Bonds7

About N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 110905588) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide
PubChem CID110905588
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC NameN-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(Cc2c(C)nn(CCO)c2C)CC1
InChIInChI=1S/C16H29N5O2/c1-4-17-16(23)12-20-7-5-19(6-8-20)11-15-13(2)18-21(9-10-22)14(15)3/h22H,4-12H2,1-3H3,(H,17,23)
InChIKeyBXNLNYIFZJZVGA-UHFFFAOYSA-N
XLogP-0.25
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide (CID 110905588) is N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(Cc2c(C)nn(CCO)c2C)CC1.
What is the InChIKey of N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is BXNLNYIFZJZVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-4-17-16(23)12-20-7-5-19(6-8-20)11-15-13(2)18-21(9-10-22)14(15)3/h22H,4-12H2,1-3H3,(H,17,23).
What are the key properties of N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 110905588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).