4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide

C18H22F3N5O — CID 59173772

IUPAC4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2ccc(C(F)(F)F)nc2)[nH]n1
InChIInChI=1S/C18H22F3N5O/c19-18(20,21)15-7-6-13(12-22-15)14-11-16(25-24-14)23-17(27)5-4-10-26-8-2-1-3-9-26/h6-7,11-12H,1-5,8-10H2,(H2,23,24,25,27)
InChIKeyAEYZDDZERKIIAB-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.70
Rot. Bonds6

About 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide

4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 59173772) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
PubChem CID59173772
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2ccc(C(F)(F)F)nc2)[nH]n1
InChIInChI=1S/C18H22F3N5O/c19-18(20,21)15-7-6-13(12-22-15)14-11-16(25-24-14)23-17(27)5-4-10-26-8-2-1-3-9-26/h6-7,11-12H,1-5,8-10H2,(H2,23,24,25,27)
InChIKeyAEYZDDZERKIIAB-UHFFFAOYSA-N
XLogP3.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide (CID 59173772) is 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide is O=C(CCCN1CCCCC1)Nc1cc(-c2ccc(C(F)(F)F)nc2)[nH]n1.
What is the InChIKey of 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is AEYZDDZERKIIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c19-18(20,21)15-7-6-13(12-22-15)14-11-16(25-24-14)23-17(27)5-4-10-26-8-2-1-3-9-26/h6-7,11-12H,1-5,8-10H2,(H2,23,24,25,27).
What are the key properties of 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide?
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide has a molecular weight of 381.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 59173772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).