[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H20F3N3O2 — CID 24791951

IUPAC[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)15-5-1-3-13(9-15)18(27)14-4-2-8-26(11-14)19(28)17-10-16(24-25-17)12-6-7-12/h1,3,5,9-10,12,14H,2,4,6-8,11H2,(H,24,25)
InChIKeyCWTPTOLZBHQODV-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.04
Rot. Bonds4

About [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 24791951) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID24791951
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)15-5-1-3-13(9-15)18(27)14-4-2-8-26(11-14)19(28)17-10-16(24-25-17)12-6-7-12/h1,3,5,9-10,12,14H,2,4,6-8,11H2,(H,24,25)
InChIKeyCWTPTOLZBHQODV-UHFFFAOYSA-N
XLogP4.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 24791951) is [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1.
What is the InChIKey of [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is CWTPTOLZBHQODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)15-5-1-3-13(9-15)18(27)14-4-2-8-26(11-14)19(28)17-10-16(24-25-17)12-6-7-12/h1,3,5,9-10,12,14H,2,4,6-8,11H2,(H,24,25).
What are the key properties of [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 391.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24791951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).