N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide

C19H18F4N6O2 — CID 163523448

IUPACN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(C2=NC=NC(C(F)(F)F)C2)c1
InChIInChI=1S/C19H18F4N6O2/c20-14-5-12(1-2-13(14)15-8-24-3-4-31-15)28-18(30)11-7-27-29(9-11)17-6-16(19(21,22)23)25-10-26-17/h1-2,5,7,9-10,15-16,24H,3-4,6,8H2,(H,28,30)/t15-,16?/m1/s1
InChIKeyDMUHDSFGALRVFU-AAFJCEBUSA-N
MW438.39 g/mol
LogP2.54
Rot. Bonds3

About N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide

N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide (PubChem CID 163523448) has the molecular formula C19H18F4N6O2 and a molecular weight of 438.39 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide
PubChem CID163523448
Molecular FormulaC19H18F4N6O2
Molecular Weight438.39 g/mol
Exact Mass438.14
IUPAC NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(C2=NC=NC(C(F)(F)F)C2)c1
InChIInChI=1S/C19H18F4N6O2/c20-14-5-12(1-2-13(14)15-8-24-3-4-31-15)28-18(30)11-7-27-29(9-11)17-6-16(19(21,22)23)25-10-26-17/h1-2,5,7,9-10,15-16,24H,3-4,6,8H2,(H,28,30)/t15-,16?/m1/s1
InChIKeyDMUHDSFGALRVFU-AAFJCEBUSA-N
XLogP2.54
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71087429
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 73425775
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442099
1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442208
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442212
1-(2,2-difluoroethyl)-N-(4-morpholin-2-ylphenyl)pyrazol-3-amine
CID 68325626
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086718
1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086728

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide (CID 163523448) is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(C2=NC=NC(C(F)(F)F)C2)c1.
What is the InChIKey of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide?
The InChIKey is DMUHDSFGALRVFU-AAFJCEBUSA-N. The full InChI is InChI=1S/C19H18F4N6O2/c20-14-5-12(1-2-13(14)15-8-24-3-4-31-15)28-18(30)11-7-27-29(9-11)17-6-16(19(21,22)23)25-10-26-17/h1-2,5,7,9-10,15-16,24H,3-4,6,8H2,(H,28,30)/t15-,16?/m1/s1.
What are the key properties of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide?
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide has a molecular weight of 438.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-4,5-dihydropyrimidin-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 163523448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).