3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

C23H19F3N4O — CID 15956866

IUPAC3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc3ccccc3c2)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C23H19F3N4O/c1-2-11-28-22(31)20-14-19(17-10-9-15-6-3-4-7-16(15)13-17)29-30(20)21-18(23(24,25)26)8-5-12-27-21/h3-10,12-14H,2,11H2,1H3,(H,28,31)
InChIKeyMFCRMMCDWLLBIX-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.25
Rot. Bonds5

About 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 15956866) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
PubChem CID15956866
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc3ccccc3c2)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C23H19F3N4O/c1-2-11-28-22(31)20-14-19(17-10-9-15-6-3-4-7-16(15)13-17)29-30(20)21-18(23(24,25)26)8-5-12-27-21/h3-10,12-14H,2,11H2,1H3,(H,28,31)
InChIKeyMFCRMMCDWLLBIX-UHFFFAOYSA-N
XLogP5.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (CID 15956866) is 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccc3ccccc3c2)nn1-c1ncccc1C(F)(F)F.
What is the InChIKey of 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is MFCRMMCDWLLBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-2-11-28-22(31)20-14-19(17-10-9-15-6-3-4-7-16(15)13-17)29-30(20)21-18(23(24,25)26)8-5-12-27-21/h3-10,12-14H,2,11H2,1H3,(H,28,31).
What are the key properties of 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?
3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 15956866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).