2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide

C12H23ClN4O2S — CID 56720277

IUPAC2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide
SMILESCc1nn(CC(C)NCCS(=O)(=O)N(C)C)c(C)c1Cl
InChIInChI=1S/C12H23ClN4O2S/c1-9(14-6-7-20(18,19)16(4)5)8-17-11(3)12(13)10(2)15-17/h9,14H,6-8H2,1-5H3
InChIKeyLPIYTPCSDWIWOO-UHFFFAOYSA-N
MW322.86 g/mol
LogP1.02
Rot. Bonds7

About 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide

2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide (PubChem CID 56720277) has the molecular formula C12H23ClN4O2S and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide
PubChem CID56720277
Molecular FormulaC12H23ClN4O2S
Molecular Weight322.86 g/mol
Exact Mass322.12
IUPAC Name2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide
SMILESCc1nn(CC(C)NCCS(=O)(=O)N(C)C)c(C)c1Cl
InChIInChI=1S/C12H23ClN4O2S/c1-9(14-6-7-20(18,19)16(4)5)8-17-11(3)12(13)10(2)15-17/h9,14H,6-8H2,1-5H3
InChIKeyLPIYTPCSDWIWOO-UHFFFAOYSA-N
XLogP1.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide (CID 56720277) is 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide is Cc1nn(CC(C)NCCS(=O)(=O)N(C)C)c(C)c1Cl.
What is the InChIKey of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is LPIYTPCSDWIWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4O2S/c1-9(14-6-7-20(18,19)16(4)5)8-17-11(3)12(13)10(2)15-17/h9,14H,6-8H2,1-5H3.
What are the key properties of 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide?
2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 322.86 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 56720277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).