N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C11H19N3O2S — CID 95349059

IUPACN-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C11H19N3O2S/c1-7(10-5-6-10)13-17(15,16)11-8(2)12-14(4)9(11)3/h7,10,13H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyVBPZWNWBDCNLSC-ZETCQYMHSA-N
MW257.36 g/mol
LogP1.11
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 95349059) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID95349059
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C11H19N3O2S/c1-7(10-5-6-10)13-17(15,16)11-8(2)12-14(4)9(11)3/h7,10,13H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyVBPZWNWBDCNLSC-ZETCQYMHSA-N
XLogP1.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 95349059) is N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is VBPZWNWBDCNLSC-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(10-5-6-10)13-17(15,16)11-8(2)12-14(4)9(11)3/h7,10,13H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 95349059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).