[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine

C20H22N4O2S — CID 120766302

IUPAC[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2S/c21-11-17-13-23(15-20(17)16-7-3-1-4-8-16)27(25,26)19-12-22-24(14-19)18-9-5-2-6-10-18/h1-10,12,14,17,20H,11,13,15,21H2/t17-,20+/m1/s1
InChIKeyGFHXYGVVNSBDGV-XLIONFOSSA-N
MW382.49 g/mol
LogP2.24
Rot. Bonds5

About [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine

[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 120766302) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID120766302
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2S/c21-11-17-13-23(15-20(17)16-7-3-1-4-8-16)27(25,26)19-12-22-24(14-19)18-9-5-2-6-10-18/h1-10,12,14,17,20H,11,13,15,21H2/t17-,20+/m1/s1
InChIKeyGFHXYGVVNSBDGV-XLIONFOSSA-N
XLogP2.24
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-1-(1-methylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120765647
[(3R,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766131
[(3R,4R)-4-phenyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120765975
[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120765992
[(3R,4R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120765940
[(3R,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766179
[(3R,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120765692
[(3R,4R)-1-(4-ethylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120765835
[(3R,4R)-1-(4-methylsulfanylphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120765739
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962892
1-[4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonylphenyl]ethanone;hydrochloride
CID 120765905
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120765702

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine (CID 120766302) is [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine is NC[C@@H]1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is GFHXYGVVNSBDGV-XLIONFOSSA-N. The full InChI is InChI=1S/C20H22N4O2S/c21-11-17-13-23(15-20(17)16-7-3-1-4-8-16)27(25,26)19-12-22-24(14-19)18-9-5-2-6-10-18/h1-10,12,14,17,20H,11,13,15,21H2/t17-,20+/m1/s1.
What are the key properties of [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine?
[(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 382.49 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyl-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120766302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).