5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide

C21H22FN5O2 — CID 118704720

IUPAC5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
SMILESN#Cc1cc(C2CC(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)NN2)ccc1F
InChIInChI=1S/C21H22FN5O2/c22-17-6-3-14(9-15(17)11-23)18-10-19(27-26-18)21(28)25-16-4-1-13(2-5-16)20-12-24-7-8-29-20/h1-6,9,18-20,24,26-27H,7-8,10,12H2,(H,25,28)/t18?,19?,20-/m1/s1
InChIKeyACVSBNHEEZCZEH-SOAGJPPSSA-N
MW395.44 g/mol
LogP1.90
Rot. Bonds4

About 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide

5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide (PubChem CID 118704720) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
PubChem CID118704720
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
SMILESN#Cc1cc(C2CC(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)NN2)ccc1F
InChIInChI=1S/C21H22FN5O2/c22-17-6-3-14(9-15(17)11-23)18-10-19(27-26-18)21(28)25-16-4-1-13(2-5-16)20-12-24-7-8-29-20/h1-6,9,18-20,24,26-27H,7-8,10,12H2,(H,25,28)/t18?,19?,20-/m1/s1
InChIKeyACVSBNHEEZCZEH-SOAGJPPSSA-N
XLogP1.90
TPSA98.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704700
3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide
CID 148701324
5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704712
4-fluoro-6-methyl-N-(4-morpholin-2-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 167932754
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087915
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
8-fluoro-2-methyl-N-(4-morpholin-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167847716
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 67238948
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide (CID 118704720) is 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide is N#Cc1cc(C2CC(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)NN2)ccc1F.
What is the InChIKey of 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The InChIKey is ACVSBNHEEZCZEH-SOAGJPPSSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-17-6-3-14(9-15(17)11-23)18-10-19(27-26-18)21(28)25-16-4-1-13(2-5-16)20-12-24-7-8-29-20/h1-6,9,18-20,24,26-27H,7-8,10,12H2,(H,25,28)/t18?,19?,20-/m1/s1.
What are the key properties of 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 118704720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).