5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

C14H17N3O3S — CID 95845003

IUPAC5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C14H17N3O3S/c1-20-12-2-4-13(5-3-12)21(18,19)17-9-7-11(10-17)14-6-8-15-16-14/h2-6,8,11H,7,9-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyJBCCAKHAIOCIEQ-NSHDSACASA-N
MW307.38 g/mol
LogP1.60
Rot. Bonds4

About 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (PubChem CID 95845003) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
PubChem CID95845003
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C14H17N3O3S/c1-20-12-2-4-13(5-3-12)21(18,19)17-9-7-11(10-17)14-6-8-15-16-14/h2-6,8,11H,7,9-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyJBCCAKHAIOCIEQ-NSHDSACASA-N
XLogP1.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611
1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 99877483
3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
CID 121084286
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
4-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 125019478
2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92596398
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (CID 95845003) is 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is COc1ccc(S(=O)(=O)N2CC[C@H](c3ccn[nH]3)C2)cc1.
What is the InChIKey of 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is JBCCAKHAIOCIEQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-2-4-13(5-3-12)21(18,19)17-9-7-11(10-17)14-6-8-15-16-14/h2-6,8,11H,7,9-10H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 307.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 95845003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).