(3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid

C8H11FN4O2 — CID 135307990

IUPAC(3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid
SMILESNc1cnn([C@@H]2CN(C(=O)O)C[C@H]2F)c1
InChIInChI=1S/C8H11FN4O2/c9-6-3-12(8(14)15)4-7(6)13-2-5(10)1-11-13/h1-2,6-7H,3-4,10H2,(H,14,15)/t6-,7-/m1/s1
InChIKeyHGPIUSOIDNNODM-RNFRBKRXSA-N
MW214.20 g/mol
LogP0.34
Rot. Bonds1

About (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid

(3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid (PubChem CID 135307990) has the molecular formula C8H11FN4O2 and a molecular weight of 214.20 g/mol. Its IUPAC name is (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid
PubChem CID135307990
Molecular FormulaC8H11FN4O2
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Name(3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid
SMILESNc1cnn([C@@H]2CN(C(=O)O)C[C@H]2F)c1
InChIInChI=1S/C8H11FN4O2/c9-6-3-12(8(14)15)4-7(6)13-2-5(10)1-11-13/h1-2,6-7H,3-4,10H2,(H,14,15)/t6-,7-/m1/s1
InChIKeyHGPIUSOIDNNODM-RNFRBKRXSA-N
XLogP0.34
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid (CID 135307990) is (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid is Nc1cnn([C@@H]2CN(C(=O)O)C[C@H]2F)c1.
What is the InChIKey of (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid?
The InChIKey is HGPIUSOIDNNODM-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H11FN4O2/c9-6-3-12(8(14)15)4-7(6)13-2-5(10)1-11-13/h1-2,6-7H,3-4,10H2,(H,14,15)/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid?
(3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid has a molecular weight of 214.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(4-aminopyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 135307990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).