4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine

C17H22N4O3S — CID 156607270

IUPAC4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC(N)C(C2CC2)C1
InChIInChI=1S/C17H22N4O3S/c1-24-16-6-5-13(21-8-2-7-19-21)9-17(16)25(22,23)20-10-14(12-3-4-12)15(18)11-20/h2,5-9,12,14-15H,3-4,10-11,18H2,1H3
InChIKeyZFTWLHHCDRRVGE-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.24
Rot. Bonds5

About 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine

4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 156607270) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID156607270
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCOc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC(N)C(C2CC2)C1
InChIInChI=1S/C17H22N4O3S/c1-24-16-6-5-13(21-8-2-7-19-21)9-17(16)25(22,23)20-10-14(12-3-4-12)15(18)11-20/h2,5-9,12,14-15H,3-4,10-11,18H2,1H3
InChIKeyZFTWLHHCDRRVGE-UHFFFAOYSA-N
XLogP1.24
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
CID 176504405
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxy-5-pyrazol-1-ylbenzenesulfonamide
CID 146045434
(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride
CID 154911275
formic acid;4-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154919148
2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
CID 131938790
(3R,4S)-4-cyclopropyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 86282932
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
(3R,4R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 133114332
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-benzyl-2-(2-methoxy-5-pyrazol-1-ylphenyl)imidazolidin-4-one
CID 167952871
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
1-(2-methoxy-5-nitrophenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576250

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine (CID 156607270) is 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine is COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CC(N)C(C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is ZFTWLHHCDRRVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-24-16-6-5-13(21-8-2-7-19-21)9-17(16)25(22,23)20-10-14(12-3-4-12)15(18)11-20/h2,5-9,12,14-15H,3-4,10-11,18H2,1H3.
What are the key properties of 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 362.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 156607270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).