N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C10H17N3O2S — CID 43243326

IUPACN-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O2S/c1-4-13(9-5-6-9)16(14,15)10-7(2)11-12-8(10)3/h9H,4-6H2,1-3H3,(H,11,12)
InChIKeyHCGQLBILLKHEJI-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.20
Rot. Bonds4

About N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43243326) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43243326
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H17N3O2S/c1-4-13(9-5-6-9)16(14,15)10-7(2)11-12-8(10)3/h9H,4-6H2,1-3H3,(H,11,12)
InChIKeyHCGQLBILLKHEJI-UHFFFAOYSA-N
XLogP1.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43243326) is N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCN(C1CC1)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HCGQLBILLKHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-13(9-5-6-9)16(14,15)10-7(2)11-12-8(10)3/h9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43243326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).