2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide

C15H25N5O2 — CID 46957153

IUPAC2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCCc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)n(C)n1
InChIInChI=1S/C15H25N5O2/c1-5-12-10-13(18(4)16-12)15(22)20-8-6-19(7-9-20)11-14(21)17(2)3/h10H,5-9,11H2,1-4H3
InChIKeyLHWYDSNILFDZJE-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.17
Rot. Bonds4

About 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 46957153) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID46957153
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCCc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)n(C)n1
InChIInChI=1S/C15H25N5O2/c1-5-12-10-13(18(4)16-12)15(22)20-8-6-19(7-9-20)11-14(21)17(2)3/h10H,5-9,11H2,1-4H3
InChIKeyLHWYDSNILFDZJE-UHFFFAOYSA-N
XLogP-0.17
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66120304
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
(3-bromopyrrolidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80677421
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 26320858
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114801021
[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95751783
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 82993688

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 46957153) is 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide is CCc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)n(C)n1.
What is the InChIKey of 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is LHWYDSNILFDZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-12-10-13(18(4)16-12)15(22)20-8-6-19(7-9-20)11-14(21)17(2)3/h10H,5-9,11H2,1-4H3.
What are the key properties of 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 307.40 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 46957153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).