3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C23H31F3N4O — CID 45223034

IUPAC3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCCn1ncc(CN2CCCC(CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C
InChIInChI=1S/C23H31F3N4O/c1-3-12-30-17(2)19(14-27-30)16-29-13-4-5-18(15-29)6-11-22(31)28-21-9-7-20(8-10-21)23(24,25)26/h7-10,14,18H,3-6,11-13,15-16H2,1-2H3,(H,28,31)
InChIKeyIZBOKJBNUSMJDY-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.25
Rot. Bonds8

About 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 45223034) has the molecular formula C23H31F3N4O and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID45223034
Molecular FormulaC23H31F3N4O
Molecular Weight436.52 g/mol
Exact Mass436.24
IUPAC Name3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCCn1ncc(CN2CCCC(CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C
InChIInChI=1S/C23H31F3N4O/c1-3-12-30-17(2)19(14-27-30)16-29-13-4-5-18(15-29)6-11-22(31)28-21-9-7-20(8-10-21)23(24,25)26/h7-10,14,18H,3-6,11-13,15-16H2,1-2H3,(H,28,31)
InChIKeyIZBOKJBNUSMJDY-UHFFFAOYSA-N
XLogP5.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
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-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 45223034) is 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is CCCn1ncc(CN2CCCC(CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C.
What is the InChIKey of 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IZBOKJBNUSMJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O/c1-3-12-30-17(2)19(14-27-30)16-29-13-4-5-18(15-29)6-11-22(31)28-21-9-7-20(8-10-21)23(24,25)26/h7-10,14,18H,3-6,11-13,15-16H2,1-2H3,(H,28,31).
What are the key properties of 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 436.52 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 45223034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).