2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide

C13H23N5O — CID 90507422

IUPAC2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C13H23N5O/c1-4-14-12(19)9-17-5-7-18(8-6-17)13-10(2)15-16-11(13)3/h4-9H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyLQQHYTBXYYMMPW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.28
Rot. Bonds4

About 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide

2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 90507422) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
PubChem CID90507422
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C13H23N5O/c1-4-14-12(19)9-17-5-7-18(8-6-17)13-10(2)15-16-11(13)3/h4-9H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyLQQHYTBXYYMMPW-UHFFFAOYSA-N
XLogP0.28
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507419
N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507366
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 90507372
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507381
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90507340
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506378
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90506981
2-[4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-N-ethylacetamide
CID 56897958
N-ethyl-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128586
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide (CID 90507422) is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is LQQHYTBXYYMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-14-12(19)9-17-5-7-18(8-6-17)13-10(2)15-16-11(13)3/h4-9H2,1-3H3,(H,14,19)(H,15,16).
What are the key properties of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 90507422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).