1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone

C14H22N4O3 — CID 16802435

IUPAC1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H22N4O3/c1-4-18-10-12(13(15-18)21-5-2)14(20)17-8-6-16(7-9-17)11(3)19/h10H,4-9H2,1-3H3
InChIKeyMKEDCKQSGAKJNX-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.61
Rot. Bonds4

About 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone

1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 16802435) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID16802435
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H22N4O3/c1-4-18-10-12(13(15-18)21-5-2)14(20)17-8-6-16(7-9-17)11(3)19/h10H,4-9H2,1-3H3
InChIKeyMKEDCKQSGAKJNX-UHFFFAOYSA-N
XLogP0.61
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone (CID 16802435) is 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone is CCOc1nn(CC)cc1C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MKEDCKQSGAKJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-18-10-12(13(15-18)21-5-2)14(20)17-8-6-16(7-9-17)11(3)19/h10H,4-9H2,1-3H3.
What are the key properties of 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 294.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 16802435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).