(3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine

C19H21N5O2S — CID 120766859

IUPAC(3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
SMILESCc1c(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cnn1-c1ccccn1
InChIInChI=1S/C19H21N5O2S/c1-14-18(11-22-24(14)19-9-5-6-10-21-19)27(25,26)23-12-16(17(20)13-23)15-7-3-2-4-8-15/h2-11,16-17H,12-13,20H2,1H3/t16-,17+/m0/s1
InChIKeySQVAETUEFVLYRU-DLBZAZTESA-N
MW383.48 g/mol
LogP1.69
Rot. Bonds4

About (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine

(3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine (PubChem CID 120766859) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
PubChem CID120766859
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
SMILESCc1c(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cnn1-c1ccccn1
InChIInChI=1S/C19H21N5O2S/c1-14-18(11-22-24(14)19-9-5-6-10-21-19)27(25,26)23-12-16(17(20)13-23)15-7-3-2-4-8-15/h2-11,16-17H,12-13,20H2,1H3/t16-,17+/m0/s1
InChIKeySQVAETUEFVLYRU-DLBZAZTESA-N
XLogP1.69
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine (CID 120766859) is (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine is Cc1c(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cnn1-c1ccccn1.
What is the InChIKey of (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
The InChIKey is SQVAETUEFVLYRU-DLBZAZTESA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14-18(11-22-24(14)19-9-5-6-10-21-19)27(25,26)23-12-16(17(20)13-23)15-7-3-2-4-8-15/h2-11,16-17H,12-13,20H2,1H3/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine has a molecular weight of 383.48 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120766859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).