1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine

C16H30N4 — CID 64848565

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCCn1cc(CN2CC(CC(C)C)NCC2(C)C)cn1
InChIInChI=1S/C16H30N4/c1-6-20-10-14(8-18-20)9-19-11-15(7-13(2)3)17-12-16(19,4)5/h8,10,13,15,17H,6-7,9,11-12H2,1-5H3
InChIKeyNDWKYJGOVKDJET-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.50
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine

1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine (PubChem CID 64848565) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
PubChem CID64848565
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
SMILESCCn1cc(CN2CC(CC(C)C)NCC2(C)C)cn1
InChIInChI=1S/C16H30N4/c1-6-20-10-14(8-18-20)9-19-11-15(7-13(2)3)17-12-16(19,4)5/h8,10,13,15,17H,6-7,9,11-12H2,1-5H3
InChIKeyNDWKYJGOVKDJET-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethyl-6-[(1-ethylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64841020
2-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,5-dimethylpiperazine
CID 64844969
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
CID 64849339
1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 113474537
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64872564
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
CID 64876319
1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 79445054
1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
CID 79452025
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine (CID 64848565) is 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine is CCn1cc(CN2CC(CC(C)C)NCC2(C)C)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
The InChIKey is NDWKYJGOVKDJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-20-10-14(8-18-20)9-19-11-15(7-13(2)3)17-12-16(19,4)5/h8,10,13,15,17H,6-7,9,11-12H2,1-5H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine?
1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64848565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).