5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C19H13F6N5O2 — CID 155009996

IUPAC5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)CCc1ccc(C(F)(F)F)nc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C19H13F6N5O2/c20-18(21,22)12-5-11(7-26-8-12)17(32)29-13-9-28-30-16(13)14(31)3-1-10-2-4-15(27-6-10)19(23,24)25/h2,4-9H,1,3H2,(H,28,30)(H,29,32)
InChIKeyXPKBINPBPJZXJG-UHFFFAOYSA-N
MW457.33 g/mol
LogP4.31
Rot. Bonds6

About 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 155009996) has the molecular formula C19H13F6N5O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID155009996
Molecular FormulaC19H13F6N5O2
Molecular Weight457.33 g/mol
Exact Mass457.10
IUPAC Name5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)CCc1ccc(C(F)(F)F)nc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C19H13F6N5O2/c20-18(21,22)12-5-11(7-26-8-12)17(32)29-13-9-28-30-16(13)14(31)3-1-10-2-4-15(27-6-10)19(23,24)25/h2,4-9H,1,3H2,(H,28,30)(H,29,32)
InChIKeyXPKBINPBPJZXJG-UHFFFAOYSA-N
XLogP4.31
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 155010079
N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine
CID 154654412
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654515
N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154654222
N-pyrimidin-2-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154758058
N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 165092375
N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154654414
ethyl 3-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]propanoate
CID 165166476
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
6-piperidin-1-yl-N-[1-[4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010127
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 155009996) is 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)CCc1ccc(C(F)(F)F)nc1)c1cncc(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is XPKBINPBPJZXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N5O2/c20-18(21,22)12-5-11(7-26-8-12)17(32)29-13-9-28-30-16(13)14(31)3-1-10-2-4-15(27-6-10)19(23,24)25/h2,4-9H,1,3H2,(H,28,30)(H,29,32).
What are the key properties of 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 457.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155009996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).