methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate

C20H24FN3O3 — CID 16667846

IUPACmethyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate
SMILESCCCn1ncc(C(=O)N2C[C@H](C(=O)OC)[C@@H](c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H24FN3O3/c1-4-9-24-13(2)16(10-22-24)19(25)23-11-17(18(12-23)20(26)27-3)14-5-7-15(21)8-6-14/h5-8,10,17-18H,4,9,11-12H2,1-3H3/t17-,18+/m1/s1
InChIKeyKHWZFUMSCGPBDE-MSOLQXFVSA-N
MW373.43 g/mol
LogP2.77
Rot. Bonds5

About methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate

methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 16667846) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate
PubChem CID16667846
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Namemethyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate
SMILESCCCn1ncc(C(=O)N2C[C@H](C(=O)OC)[C@@H](c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H24FN3O3/c1-4-9-24-13(2)16(10-22-24)19(25)23-11-17(18(12-23)20(26)27-3)14-5-7-15(21)8-6-14/h5-8,10,17-18H,4,9,11-12H2,1-3H3/t17-,18+/m1/s1
InChIKeyKHWZFUMSCGPBDE-MSOLQXFVSA-N
XLogP2.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate 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 methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate (CID 16667846) is methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate is CCCn1ncc(C(=O)N2C[C@H](C(=O)OC)[C@@H](c3ccc(F)cc3)C2)c1C.
What is the InChIKey of methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is KHWZFUMSCGPBDE-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-4-9-24-13(2)16(10-22-24)19(25)23-11-17(18(12-23)20(26)27-3)14-5-7-15(21)8-6-14/h5-8,10,17-18H,4,9,11-12H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate?
methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-(4-fluorophenyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 16667846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).