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

C20H17F4N5O2 — CID 73442563

IUPAC1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C20H17F4N5O2/c21-16-7-14(20(22,23)24)9-26-18(16)29-11-13(8-27-29)19(30)28-15-3-1-12(2-4-15)17-10-25-5-6-31-17/h1-4,7-9,11,17,25H,5-6,10H2,(H,28,30)/t17-/m1/s1
InChIKeyQEXJWKICROQDKR-QGZVFWFLSA-N
MW435.38 g/mol
LogP3.34
Rot. Bonds4

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

1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442563) has the molecular formula C20H17F4N5O2 and a molecular weight of 435.38 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442563
Molecular FormulaC20H17F4N5O2
Molecular Weight435.38 g/mol
Exact Mass435.13
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2F)c1
InChIInChI=1S/C20H17F4N5O2/c21-16-7-14(20(22,23)24)9-26-18(16)29-11-13(8-27-29)19(30)28-15-3-1-12(2-4-15)17-10-25-5-6-31-17/h1-4,7-9,11,17,25H,5-6,10H2,(H,28,30)/t17-/m1/s1
InChIKeyQEXJWKICROQDKR-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 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442563) is 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(C(F)(F)F)cc2F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is QEXJWKICROQDKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17F4N5O2/c21-16-7-14(20(22,23)24)9-26-18(16)29-11-13(8-27-29)19(30)28-15-3-1-12(2-4-15)17-10-25-5-6-31-17/h1-4,7-9,11,17,25H,5-6,10H2,(H,28,30)/t17-/m1/s1.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]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 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).