1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine

C13H24N4O2S — CID 126787487

IUPAC1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1cc(CN2CCN(S(=O)(=O)CC)CC2)cn1
InChIInChI=1S/C13H24N4O2S/c1-3-5-16-12-13(10-14-16)11-15-6-8-17(9-7-15)20(18,19)4-2/h10,12H,3-9,11H2,1-2H3
InChIKeyRWHNGBYDGBQEPI-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.76
Rot. Bonds6

About 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine

1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine (PubChem CID 126787487) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine
PubChem CID126787487
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine
SMILESCCCn1cc(CN2CCN(S(=O)(=O)CC)CC2)cn1
InChIInChI=1S/C13H24N4O2S/c1-3-5-16-12-13(10-14-16)11-15-6-8-17(9-7-15)20(18,19)4-2/h10,12H,3-9,11H2,1-2H3
InChIKeyRWHNGBYDGBQEPI-UHFFFAOYSA-N
XLogP0.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 103572299
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-propylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 120989207
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 115879784
(1-propylpyrazol-4-yl)methyl methanesulfonate
CID 103572272
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
(1-propylpyrazol-4-yl)methanethiol
CID 103573669
1-[(1-propylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 103573389
1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 719602
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 110709141

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine (CID 126787487) is 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine is CCCn1cc(CN2CCN(S(=O)(=O)CC)CC2)cn1.
What is the InChIKey of 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine?
The InChIKey is RWHNGBYDGBQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-5-16-12-13(10-14-16)11-15-6-8-17(9-7-15)20(18,19)4-2/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine?
1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine has a molecular weight of 300.43 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 126787487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).