(3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid

C18H18FN3O3 — CID 70723472

IUPAC(3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H18FN3O3/c19-12-3-1-2-11(6-12)13-8-22(9-14(13)18(24)25)17(23)16-7-15(20-21-16)10-4-5-10/h1-3,6-7,10,13-14H,4-5,8-9H2,(H,20,21)(H,24,25)/t13-,14+/m0/s1
InChIKeyWIFUQQJTTZVMHF-UONOGXRCSA-N
MW343.36 g/mol
LogP2.37
Rot. Bonds4

About (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid

(3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 70723472) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID70723472
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C18H18FN3O3/c19-12-3-1-2-11(6-12)13-8-22(9-14(13)18(24)25)17(23)16-7-15(20-21-16)10-4-5-10/h1-3,6-7,10,13-14H,4-5,8-9H2,(H,20,21)(H,24,25)/t13-,14+/m0/s1
InChIKeyWIFUQQJTTZVMHF-UONOGXRCSA-N
XLogP2.37
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid (CID 70723472) is (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1c1cccc(F)c1.
What is the InChIKey of (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WIFUQQJTTZVMHF-UONOGXRCSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-12-3-1-2-11(6-12)13-8-22(9-14(13)18(24)25)17(23)16-7-15(20-21-16)10-4-5-10/h1-3,6-7,10,13-14H,4-5,8-9H2,(H,20,21)(H,24,25)/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid?
(3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70723472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).