1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C20H19FN4O2 — CID 73442099

IUPAC1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN4O2/c21-16-3-7-18(8-4-16)25-13-15(11-23-25)20(26)24-17-5-1-14(2-6-17)19-12-22-9-10-27-19/h1-8,11,13,19,22H,9-10,12H2,(H,24,26)/t19-/m1/s1
InChIKeyMOUOASZENXNGJR-LJQANCHMSA-N
MW366.40 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442099) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442099
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN4O2/c21-16-3-7-18(8-4-16)25-13-15(11-23-25)20(26)24-17-5-1-14(2-6-17)19-12-22-9-10-27-19/h1-8,11,13,19,22H,9-10,12H2,(H,24,26)/t19-/m1/s1
InChIKeyMOUOASZENXNGJR-LJQANCHMSA-N
XLogP2.92
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442099) is 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is MOUOASZENXNGJR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-3-7-18(8-4-16)25-13-15(11-23-25)20(26)24-17-5-1-14(2-6-17)19-12-22-9-10-27-19/h1-8,11,13,19,22H,9-10,12H2,(H,24,26)/t19-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).