4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

C14H17N3O3S — CID 60960045

IUPAC4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCOc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-5-2-4-11(8-12)14-6-3-7-17(14)21(18,19)13-9-15-16-10-13/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,15,16)
InChIKeyKJYHYJZGCTYANZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.94
Rot. Bonds4

About 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (PubChem CID 60960045) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
PubChem CID60960045
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCOc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-5-2-4-11(8-12)14-6-3-7-17(14)21(18,19)13-9-15-16-10-13/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,15,16)
InChIKeyKJYHYJZGCTYANZ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 94579683
5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 95718315
5-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 95718316
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990
dimethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzene-1,4-dicarboxylate
CID 55508527
N-[[6-[1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095695
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The IUPAC name of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (CID 60960045) is 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The canonical SMILES for 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is COc1cccc(C2CCCN2S(=O)(=O)c2cn[nH]c2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The InChIKey is KJYHYJZGCTYANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-5-2-4-11(8-12)14-6-3-7-17(14)21(18,19)13-9-15-16-10-13/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole has a molecular weight of 307.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 60960045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).