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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Related Compounds

2-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-N-ethylacetamide
CID 46448603
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 110007949
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
1-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 134705406
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
(1S)-1-[5-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 99999208
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24564882
2-[3,5-dimethyl-4-[(4-phenylazepan-1-yl)methyl]pyrazol-1-yl]ethanol
CID 77090345
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 90507422
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816

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).