N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C20H18F3N5O2 — CID 71087444

IUPACN-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)14-3-6-18(25-11-14)28-9-7-16(27-28)19(29)26-15-4-1-13(2-5-15)17-12-24-8-10-30-17/h1-7,9,11,17,24H,8,10,12H2,(H,26,29)
InChIKeyPAGVJWGRJLLUKY-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.20
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 71087444) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID71087444
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC NameN-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)14-3-6-18(25-11-14)28-9-7-16(27-28)19(29)26-15-4-1-13(2-5-15)17-12-24-8-10-30-17/h1-7,9,11,17,24H,8,10,12H2,(H,26,29)
InChIKeyPAGVJWGRJLLUKY-UHFFFAOYSA-N
XLogP3.20
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 71087444) is N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is PAGVJWGRJLLUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c21-20(22,23)14-3-6-18(25-11-14)28-9-7-16(27-28)19(29)26-15-4-1-13(2-5-15)17-12-24-8-10-30-17/h1-7,9,11,17,24H,8,10,12H2,(H,26,29).
What are the key properties of N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71087444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).