1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide

C10H17N3O3S — CID 71974775

IUPAC1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)S(=O)(=O)C(C)C)cn1
InChIInChI=1S/C10H17N3O3S/c1-5-13-7-9(6-11-13)10(14)12(4)17(15,16)8(2)3/h6-8H,5H2,1-4H3
InChIKeyDCYYTVGPMVMOKM-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.71
Rot. Bonds4

About 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide

1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide (PubChem CID 71974775) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
PubChem CID71974775
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)S(=O)(=O)C(C)C)cn1
InChIInChI=1S/C10H17N3O3S/c1-5-13-7-9(6-11-13)10(14)12(4)17(15,16)8(2)3/h6-8H,5H2,1-4H3
InChIKeyDCYYTVGPMVMOKM-UHFFFAOYSA-N
XLogP0.71
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide (CID 71974775) is 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide is CCn1cc(C(=O)N(C)S(=O)(=O)C(C)C)cn1.
What is the InChIKey of 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is DCYYTVGPMVMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-5-13-7-9(6-11-13)10(14)12(4)17(15,16)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 71974775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).