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

C20H23FN4O2 — CID 118704700

IUPAC5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C20H23FN4O2/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19/h1-8,17-19,22,24-25H,9-12H2,(H,23,26)/t17?,18?,19-/m1/s1
InChIKeyAXPAKWVWTHMQRR-CTWPCTMYSA-N
MW370.43 g/mol
LogP2.03
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide (PubChem CID 118704700) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
PubChem CID118704700
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C20H23FN4O2/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19/h1-8,17-19,22,24-25H,9-12H2,(H,23,26)/t17?,18?,19-/m1/s1
InChIKeyAXPAKWVWTHMQRR-CTWPCTMYSA-N
XLogP2.03
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704720
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
ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75085762
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
2-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113057
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113263
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 67238948
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
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide
CID 167826713

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide (CID 118704700) is 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The InChIKey is AXPAKWVWTHMQRR-CTWPCTMYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-15-5-1-13(2-6-15)17-11-18(25-24-17)20(26)23-16-7-3-14(4-8-16)19-12-22-9-10-27-19/h1-8,17-19,22,24-25H,9-12H2,(H,23,26)/t17?,18?,19-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 118704700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).