5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide

C19H23FN4O3 — CID 56747841

IUPAC5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C19H23FN4O3/c20-14-5-1-2-6-18(14)27-10-13-9-15(23-22-13)19(25)21-16-11-26-12-17(16)24-7-3-4-8-24/h1-2,5-6,9,16-17H,3-4,7-8,10-12H2,(H,21,25)(H,22,23)/t16-,17-/m0/s1
InChIKeyXKPQIWBHYPNETI-IRXDYDNUSA-N
MW374.42 g/mol
LogP1.72
Rot. Bonds6

About 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 56747841) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID56747841
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C19H23FN4O3/c20-14-5-1-2-6-18(14)27-10-13-9-15(23-22-13)19(25)21-16-11-26-12-17(16)24-7-3-4-8-24/h1-2,5-6,9,16-17H,3-4,7-8,10-12H2,(H,21,25)(H,22,23)/t16-,17-/m0/s1
InChIKeyXKPQIWBHYPNETI-IRXDYDNUSA-N
XLogP1.72
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide (CID 56747841) is 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is XKPQIWBHYPNETI-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-14-5-1-2-6-18(14)27-10-13-9-15(23-22-13)19(25)21-16-11-26-12-17(16)24-7-3-4-8-24/h1-2,5-6,9,16-17H,3-4,7-8,10-12H2,(H,21,25)(H,22,23)/t16-,17-/m0/s1.
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56747841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).