1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one

C14H18F3N5O2 — CID 56816823

IUPAC1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C14H18F3N5O2/c15-14(16,17)11-3-7-21(19-11)9-12(23)20-5-1-10(2-6-20)22-8-4-18-13(22)24/h3,7,10H,1-2,4-6,8-9H2,(H,18,24)
InChIKeySRRIDKKIKJJEFU-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.92
Rot. Bonds3

About 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56816823) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56816823
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C14H18F3N5O2/c15-14(16,17)11-3-7-21(19-11)9-12(23)20-5-1-10(2-6-20)22-8-4-18-13(22)24/h3,7,10H,1-2,4-6,8-9H2,(H,18,24)
InChIKeySRRIDKKIKJJEFU-UHFFFAOYSA-N
XLogP0.92
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one (CID 56816823) is 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one is O=C(Cn1ccc(C(F)(F)F)n1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is SRRIDKKIKJJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c15-14(16,17)11-3-7-21(19-11)9-12(23)20-5-1-10(2-6-20)22-8-4-18-13(22)24/h3,7,10H,1-2,4-6,8-9H2,(H,18,24).
What are the key properties of 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 345.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56816823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).