(3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

C13H22N4O2S — CID 72903968

IUPAC(3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCCCn1cc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-2-5-16-7-11(6-15-16)20(18,19)17-8-12(10-3-4-10)13(14)9-17/h6-7,10,12-13H,2-5,8-9,14H2,1H3/t12-,13+/m1/s1
InChIKeyNMZIUERIVGANRR-OLZOCXBDSA-N
MW298.41 g/mol
LogP0.65
Rot. Bonds5

About (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (PubChem CID 72903968) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
PubChem CID72903968
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name(3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCCCn1cc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C13H22N4O2S/c1-2-5-16-7-11(6-15-16)20(18,19)17-8-12(10-3-4-10)13(14)9-17/h6-7,10,12-13H,2-5,8-9,14H2,1H3/t12-,13+/m1/s1
InChIKeyNMZIUERIVGANRR-OLZOCXBDSA-N
XLogP0.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (CID 72903968) is (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is CCCn1cc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is NMZIUERIVGANRR-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-5-16-7-11(6-15-16)20(18,19)17-8-12(10-3-4-10)13(14)9-17/h6-7,10,12-13H,2-5,8-9,14H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 298.41 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72903968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).