3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid

C14H20FN3O4 — CID 175133376

IUPAC3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc([C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C14H20FN3O4/c1-14(2,3)22-13(21)18-7-8(15)5-10(18)9-6-11(12(19)20)17(4)16-9/h6,8,10H,5,7H2,1-4H3,(H,19,20)/t8-,10+/m1/s1
InChIKeyHZCWODBDWSSJQM-SCZZXKLOSA-N
MW313.33 g/mol
LogP2.14
Rot. Bonds2

About 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid

3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 175133376) has the molecular formula C14H20FN3O4 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid
PubChem CID175133376
Molecular FormulaC14H20FN3O4
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc([C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C14H20FN3O4/c1-14(2,3)22-13(21)18-7-8(15)5-10(18)9-6-11(12(19)20)17(4)16-9/h6,8,10H,5,7H2,1-4H3,(H,19,20)/t8-,10+/m1/s1
InChIKeyHZCWODBDWSSJQM-SCZZXKLOSA-N
XLogP2.14
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-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

Related Compounds

3-(1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 145875180
3-(1-((tert-butoxy)carbonyl)azetidin-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 165827928
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 59843311
1-[1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 69300588
ethyl 3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylate
CID 156705863
ethyl 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylate
CID 156705870
3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid
CID 175130630
5-[(1S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 134961957
3-[1-(3-Fluoropropoxycarbonyl)piperidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 132389460
5-[1-(3-Fluoropropoxycarbonyl)piperidin-3-yl]-2-methylpyrazole-3-carboxylic acid
CID 136562145
1-methyl-3-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]-1H-pyrazole-5-carboxylic acid
CID 165937956
3-(((tert-Butoxycarbonyl)(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 177799418

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid (CID 175133376) is 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid is Cn1nc([C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)cc1C(=O)O.
What is the InChIKey of 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is HZCWODBDWSSJQM-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H20FN3O4/c1-14(2,3)22-13(21)18-7-8(15)5-10(18)9-6-11(12(19)20)17(4)16-9/h6,8,10H,5,7H2,1-4H3,(H,19,20)/t8-,10+/m1/s1.
What are the key properties of 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid?
3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 175133376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).