N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C20H18F2N4O2 — CID 71112732

IUPACN-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F2N4O2/c21-14-2-4-15(5-3-14)26-9-7-18(25-26)20(27)24-17-6-1-13(11-16(17)22)19-12-23-8-10-28-19/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/m1/s1
InChIKeyPQWWTXORSYUPAA-LJQANCHMSA-N
MW384.39 g/mol
LogP3.06
Rot. Bonds4

About N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 71112732) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID71112732
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F2N4O2/c21-14-2-4-15(5-3-14)26-9-7-18(25-26)20(27)24-17-6-1-13(11-16(17)22)19-12-23-8-10-28-19/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/m1/s1
InChIKeyPQWWTXORSYUPAA-LJQANCHMSA-N
XLogP3.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 71112732) is N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is PQWWTXORSYUPAA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-14-2-4-15(5-3-14)26-9-7-18(25-26)20(27)24-17-6-1-13(11-16(17)22)19-12-23-8-10-28-19/h1-7,9,11,19,23H,8,10,12H2,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71112732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).