methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate

C16H18FN3O2 — CID 56790673

IUPACmethyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C16H18FN3O2/c1-22-16(21)15-6-3-8-19(15)11-13-7-9-20(18-13)14-5-2-4-12(17)10-14/h2,4-5,7,9-10,15H,3,6,8,11H2,1H3
InChIKeyMTSXCCDWPHKIPZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.15
Rot. Bonds4

About methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate

methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 56790673) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID56790673
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Namemethyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C16H18FN3O2/c1-22-16(21)15-6-3-8-19(15)11-13-7-9-20(18-13)14-5-2-4-12(17)10-14/h2,4-5,7,9-10,15H,3,6,8,11H2,1H3
InChIKeyMTSXCCDWPHKIPZ-UHFFFAOYSA-N
XLogP2.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate (CID 56790673) is methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is MTSXCCDWPHKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-22-16(21)15-6-3-8-19(15)11-13-7-9-20(18-13)14-5-2-4-12(17)10-14/h2,4-5,7,9-10,15H,3,6,8,11H2,1H3.
What are the key properties of methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 56790673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).