N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide

C17H30N6O3S — CID 46977003

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C17H30N6O3S/c1-4-23-15(3)17(14(2)19-23)18-16(24)13-20-9-11-22(12-10-20)27(25,26)21-7-5-6-8-21/h4-13H2,1-3H3,(H,18,24)
InChIKeyWVOUUZPMRJTUEA-UHFFFAOYSA-N
MW398.53 g/mol
LogP0.42
Rot. Bonds6

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 46977003) has the molecular formula C17H30N6O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID46977003
Molecular FormulaC17H30N6O3S
Molecular Weight398.53 g/mol
Exact Mass398.21
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)c1C
InChIInChI=1S/C17H30N6O3S/c1-4-23-15(3)17(14(2)19-23)18-16(24)13-20-9-11-22(12-10-20)27(25,26)21-7-5-6-8-21/h4-13H2,1-3H3,(H,18,24)
InChIKeyWVOUUZPMRJTUEA-UHFFFAOYSA-N
XLogP0.42
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 95851460
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]acetamide
CID 91838166
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 138042265
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 133135484
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
CID 130639181
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30739058
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 124752283
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 91832837
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124751686

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide (CID 46977003) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide is CCn1nc(C)c(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is WVOUUZPMRJTUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O3S/c1-4-23-15(3)17(14(2)19-23)18-16(24)13-20-9-11-22(12-10-20)27(25,26)21-7-5-6-8-21/h4-13H2,1-3H3,(H,18,24).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 46977003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).