1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide

C12H19N5O2S — CID 132969419

IUPAC1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N(C)Cc2ccn[nH]2)c1C
InChIInChI=1S/C12H19N5O2S/c1-5-17-10(3)12(9(2)15-17)20(18,19)16(4)8-11-6-7-13-14-11/h6-7H,5,8H2,1-4H3,(H,13,14)
InChIKeyODJFAPDJCCKTFI-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.06
Rot. Bonds5

About 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide

1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 132969419) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide
PubChem CID132969419
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N(C)Cc2ccn[nH]2)c1C
InChIInChI=1S/C12H19N5O2S/c1-5-17-10(3)12(9(2)15-17)20(18,19)16(4)8-11-6-7-13-14-11/h6-7H,5,8H2,1-4H3,(H,13,14)
InChIKeyODJFAPDJCCKTFI-UHFFFAOYSA-N
XLogP1.06
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide (CID 132969419) is 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)N(C)Cc2ccn[nH]2)c1C.
What is the InChIKey of 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is ODJFAPDJCCKTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-5-17-10(3)12(9(2)15-17)20(18,19)16(4)8-11-6-7-13-14-11/h6-7H,5,8H2,1-4H3,(H,13,14).
What are the key properties of 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide?
1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 132969419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).