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

C40H36F6N10O4 — CID 157326975

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cc(C(F)(F)F)ccn2)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/2C20H18F3N5O2/c21-20(22,23)15-3-6-18(25-10-15)28-12-14(9-26-28)19(29)27-16-4-1-13(2-5-16)17-11-24-7-8-30-17;21-20(22,23)15-5-6-25-18(9-15)28-12-14(10-26-28)19(29)27-16-3-1-13(2-4-16)17-11-24-7-8-30-17/h2*1-6,9-10,12,17,24H,7-8,11H2,(H,27,29)/t2*17-/m11/s1
InChIKeyBEVOVMCHMIHFFN-NDMDWDKOSA-N
MW834.78 g/mol
LogP6.40
Rot. Bonds8

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

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 157326975) has the molecular formula C40H36F6N10O4 and a molecular weight of 834.78 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID157326975
Molecular FormulaC40H36F6N10O4
Molecular Weight834.78 g/mol
Exact Mass834.28
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cc(C(F)(F)F)ccn2)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/2C20H18F3N5O2/c21-20(22,23)15-3-6-18(25-10-15)28-12-14(9-26-28)19(29)27-16-4-1-13(2-5-16)17-11-24-7-8-30-17;21-20(22,23)15-5-6-25-18(9-15)28-12-14(10-26-28)19(29)27-16-3-1-13(2-4-16)17-11-24-7-8-30-17/h2*1-6,9-10,12,17,24H,7-8,11H2,(H,27,29)/t2*17-/m11/s1
InChIKeyBEVOVMCHMIHFFN-NDMDWDKOSA-N
XLogP6.40
TPSA162.14 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.78
LogP ≤ 56.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086678
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086718
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086728
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086845
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086875
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086896
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087452
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 73442329
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 73442330
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 73442447
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 73442449

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 157326975) is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cc(C(F)(F)F)ccn2)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is BEVOVMCHMIHFFN-NDMDWDKOSA-N. The full InChI is InChI=1S/2C20H18F3N5O2/c21-20(22,23)15-3-6-18(25-10-15)28-12-14(9-26-28)19(29)27-16-4-1-13(2-5-16)17-11-24-7-8-30-17;21-20(22,23)15-5-6-25-18(9-15)28-12-14(10-26-28)19(29)27-16-3-1-13(2-4-16)17-11-24-7-8-30-17/h2*1-6,9-10,12,17,24H,7-8,11H2,(H,27,29)/t2*17-/m11/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 834.78 g/mol, XLogP of 6.40, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157326975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).