(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

C20H23FN4O3 — CID 129354485

IUPAC(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCCO2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN4O3/c21-15-4-6-17(7-5-15)25-11-14(9-19(25)26)20(27)23-16-10-22-24(12-16)13-18-3-1-2-8-28-18/h4-7,10,12,14,18H,1-3,8-9,11,13H2,(H,23,27)/t14-,18+/m1/s1
InChIKeyWUNHZAQQDICQIF-KDOFPFPSSA-N
MW386.43 g/mol
LogP2.58
Rot. Bonds5

About (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 129354485) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID129354485
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCCO2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN4O3/c21-15-4-6-17(7-5-15)25-11-14(9-19(25)26)20(27)23-16-10-22-24(12-16)13-18-3-1-2-8-28-18/h4-7,10,12,14,18H,1-3,8-9,11,13H2,(H,23,27)/t14-,18+/m1/s1
InChIKeyWUNHZAQQDICQIF-KDOFPFPSSA-N
XLogP2.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 121145243
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002454
(3R)-1-(4-fluorophenyl)-N-[(2S)-oxan-2-yl]oxy-5-oxopyrrolidine-3-carboxamide
CID 95300558
3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355863
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-(2-fluorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354491
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 129354485) is (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WUNHZAQQDICQIF-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-15-4-6-17(7-5-15)25-11-14(9-19(25)26)20(27)23-16-10-22-24(12-16)13-18-3-1-2-8-28-18/h4-7,10,12,14,18H,1-3,8-9,11,13H2,(H,23,27)/t14-,18+/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 129354485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).