1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide

C20H29N3O4S — CID 42346872

IUPAC1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C20H29N3O4S/c1-26-14-12-22(13-15-27-2)28(24,25)19-16-23(18-10-6-7-11-18)21-20(19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKeyKZJLFHPGETZIIJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.95
Rot. Bonds10

About 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide

1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide (PubChem CID 42346872) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide
PubChem CID42346872
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C20H29N3O4S/c1-26-14-12-22(13-15-27-2)28(24,25)19-16-23(18-10-6-7-11-18)21-20(19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKeyKZJLFHPGETZIIJ-UHFFFAOYSA-N
XLogP2.95
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854
N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
CID 42346901
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917
1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
CID 42347151
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 42347063
N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
CID 42282581
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 42284988
1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
CID 42282856
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285010
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42285003

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide (CID 42346872) is 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide is COCCN(CCOC)S(=O)(=O)c1cn(C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide?
The InChIKey is KZJLFHPGETZIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-26-14-12-22(13-15-27-2)28(24,25)19-16-23(18-10-6-7-11-18)21-20(19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3.
What are the key properties of 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide?
1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 2.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,N-bis(2-methoxyethyl)-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42346872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).