4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide

C14H14F3N5O2 — CID 136564579

IUPAC4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-8-12(21-20-11)19-13(23)10-7-9(1-2-18-10)22-3-5-24-6-4-22/h1-2,7-8H,3-6H2,(H2,19,20,21,23)
InChIKeyLEPVFUTUNVOXEP-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.91
Rot. Bonds3

About 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide

4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 136564579) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID136564579
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)[nH]n1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-8-12(21-20-11)19-13(23)10-7-9(1-2-18-10)22-3-5-24-6-4-22/h1-2,7-8H,3-6H2,(H2,19,20,21,23)
InChIKeyLEPVFUTUNVOXEP-UHFFFAOYSA-N
XLogP1.91
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide (CID 136564579) is 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)[nH]n1)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is LEPVFUTUNVOXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)11-8-12(21-20-11)19-13(23)10-7-9(1-2-18-10)22-3-5-24-6-4-22/h1-2,7-8H,3-6H2,(H2,19,20,21,23).
What are the key properties of 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 136564579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).