2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide

C12H21N3O2S — CID 122556444

IUPAC2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C12H21N3O2S/c1-4-15-11(5-8-13-15)18(16,17)14-9-12(6-7-12)10(2)3/h5,8,10,14H,4,6-7,9H2,1-3H3
InChIKeyLWZWAPPZFONRPX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.62
Rot. Bonds6

About 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide

2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide (PubChem CID 122556444) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide
PubChem CID122556444
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NCC1(C(C)C)CC1
InChIInChI=1S/C12H21N3O2S/c1-4-15-11(5-8-13-15)18(16,17)14-9-12(6-7-12)10(2)3/h5,8,10,14H,4,6-7,9H2,1-3H3
InChIKeyLWZWAPPZFONRPX-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide (CID 122556444) is 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)NCC1(C(C)C)CC1.
What is the InChIKey of 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide?
The InChIKey is LWZWAPPZFONRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15-11(5-8-13-15)18(16,17)14-9-12(6-7-12)10(2)3/h5,8,10,14H,4,6-7,9H2,1-3H3.
What are the key properties of 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide?
2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 122556444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).