(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone

C10H16N4O — CID 83883921

IUPAC(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCCn1cc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C10H16N4O/c1-2-14-8-9(7-12-14)10(15)13-5-3-11-4-6-13/h7-8,11H,2-6H2,1H3
InChIKeyMCTMTKFKGWGQFF-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.05
Rot. Bonds2

About (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone

(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 83883921) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
PubChem CID83883921
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCCn1cc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C10H16N4O/c1-2-14-8-9(7-12-14)10(15)13-5-3-11-4-6-13/h7-8,11H,2-6H2,1H3
InChIKeyMCTMTKFKGWGQFF-UHFFFAOYSA-N
XLogP-0.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
(1-ethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471291
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82509456
(1-ethylpyrazol-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74236184
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
1-[8-(1-ethylpyrazole-4-carbonyl)-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110156228
1-[(3R)-8-(1-ethylpyrazole-4-carbonyl)-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124981846
2-(1,4-diazepan-1-yl)-N-(1-ethylpyrazol-4-yl)-2-oxoacetamide
CID 43543988
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone (CID 83883921) is (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone is CCn1cc(C(=O)N2CCNCC2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is MCTMTKFKGWGQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-14-8-9(7-12-14)10(15)13-5-3-11-4-6-13/h7-8,11H,2-6H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 208.26 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 83883921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).