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

C20H17F4N5O2 — CID 71086958

IUPACN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C20H17F4N5O2/c21-16-7-13(1-3-15(16)17-10-25-5-6-31-17)28-19(30)12-8-27-29(11-12)14-2-4-18(26-9-14)20(22,23)24/h1-4,7-9,11,17,25H,5-6,10H2,(H,28,30)/t17-/m1/s1
InChIKeyJRNWUZSLVCHRSS-QGZVFWFLSA-N
MW435.38 g/mol
LogP3.34
Rot. Bonds4

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

N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 71086958) has the molecular formula C20H17F4N5O2 and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID71086958
Molecular FormulaC20H17F4N5O2
Molecular Weight435.38 g/mol
Exact Mass435.13
IUPAC NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C20H17F4N5O2/c21-16-7-13(1-3-15(16)17-10-25-5-6-31-17)28-19(30)12-8-27-29(11-12)14-2-4-18(26-9-14)20(22,23)24/h1-4,7-9,11,17,25H,5-6,10H2,(H,28,30)/t17-/m1/s1
InChIKeyJRNWUZSLVCHRSS-QGZVFWFLSA-N
XLogP3.34
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (CID 71086958) is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is JRNWUZSLVCHRSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17F4N5O2/c21-16-7-13(1-3-15(16)17-10-25-5-6-31-17)28-19(30)12-8-27-29(11-12)14-2-4-18(26-9-14)20(22,23)24/h1-4,7-9,11,17,25H,5-6,10H2,(H,28,30)/t17-/m1/s1.
What are the key properties of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71086958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).