1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide

C21H23N3O3S — CID 86870369

IUPAC1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(C2CC2)S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3O3S/c1-27-20-11-7-18(8-12-20)15-24(19-9-10-19)28(25,26)21-13-22-23(16-21)14-17-5-3-2-4-6-17/h2-8,11-13,16,19H,9-10,14-15H2,1H3
InChIKeyAHFKDWUNMNWLSF-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.29
Rot. Bonds8

About 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide

1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 86870369) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID86870369
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(C2CC2)S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3O3S/c1-27-20-11-7-18(8-12-20)15-24(19-9-10-19)28(25,26)21-13-22-23(16-21)14-17-5-3-2-4-6-17/h2-8,11-13,16,19H,9-10,14-15H2,1H3
InChIKeyAHFKDWUNMNWLSF-UHFFFAOYSA-N
XLogP3.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6466482
N-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509138
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127038281
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127039593
N,1-dimethyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
CID 127042185
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide
CID 6469348
N'-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide
CID 5342483
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676301
N-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 20914781
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
CID 45822307

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide (CID 86870369) is 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide is COc1ccc(CN(C2CC2)S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is AHFKDWUNMNWLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-27-20-11-7-18(8-12-20)15-24(19-9-10-19)28(25,26)21-13-22-23(16-21)14-17-5-3-2-4-6-17/h2-8,11-13,16,19H,9-10,14-15H2,1H3.
What are the key properties of 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 86870369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).