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

C20H18F2N4O2 — CID 71112658

IUPACN-[2-fluoro-4-[(2R)-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-/m0/s1
InChIKeyPQWWTXORSYUPAA-IBGZPJMESA-N
MW384.39 g/mol
LogP3.06
Rot. Bonds4

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

N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 71112658) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID71112658
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[2-fluoro-4-[(2R)-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-/m0/s1
InChIKeyPQWWTXORSYUPAA-IBGZPJMESA-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

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Related Compounds

Ralmitaront
CID 130429734
1-(3-(aminomethyl)phenyl)-N-(4-((cyclopropylmethoxy)(phenyl)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355605
1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086787
1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086930
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087333
N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
5-[3-(difluoromethoxy)phenyl]-2-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087925
6-fluoro-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide
CID 71112268
6-fluoro-1H-indazole-3-carboxylic acid ((R)-2-fluoro-4-morpholin-2-yl-phenyl)-amide
CID 71112455
(2S)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine
CID 71656893
(2R)-2-[4-[4-(4-fluorophenyl)triazol-1-yl]phenyl]morpholine
CID 71656894
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-phenyltriazole-4-carboxamide
CID 73425671

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 71112658) is N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[(2R)-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-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is PQWWTXORSYUPAA-IBGZPJMESA-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-/m0/s1.
What are the key properties of N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[2-fluoro-4-[(2R)-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-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71112658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).