N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C14H25N5O3S — CID 126793104

IUPACN-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCCS(=O)(=O)CC(C)NC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C14H25N5O3S/c1-4-23(21,22)11-12(2)16-14(20)19-7-5-18(6-8-19)13-9-15-17(3)10-13/h9-10,12H,4-8,11H2,1-3H3,(H,16,20)
InChIKeyLQLQIYSRIYBVBG-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.07
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 126793104) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID126793104
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCCS(=O)(=O)CC(C)NC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C14H25N5O3S/c1-4-23(21,22)11-12(2)16-14(20)19-7-5-18(6-8-19)13-9-15-17(3)10-13/h9-10,12H,4-8,11H2,1-3H3,(H,16,20)
InChIKeyLQLQIYSRIYBVBG-UHFFFAOYSA-N
XLogP0.07
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
CID 71868246
1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one
CID 126767368
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124608580
N-[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 96563116
N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 154847647
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 126437488
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
4-(1,3-benzodioxol-5-yl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104385
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 126793104) is N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is CCS(=O)(=O)CC(C)NC(=O)N1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is LQLQIYSRIYBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-23(21,22)11-12(2)16-14(20)19-7-5-18(6-8-19)13-9-15-17(3)10-13/h9-10,12H,4-8,11H2,1-3H3,(H,16,20).
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126793104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).