1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C18H18F3N5O2 — CID 126946277

IUPAC1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(C(=O)c4ccccc4C(F)(F)F)C3)c2)C1=O
InChIInChI=1S/C18H18F3N5O2/c1-23-6-7-25(17(23)28)12-8-22-26(11-12)13-9-24(10-13)16(27)14-4-2-3-5-15(14)18(19,20)21/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyKXZXHNZMUVRDSI-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.47
Rot. Bonds3

About 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946277) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126946277
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(C(=O)c4ccccc4C(F)(F)F)C3)c2)C1=O
InChIInChI=1S/C18H18F3N5O2/c1-23-6-7-25(17(23)28)12-8-22-26(11-12)13-9-24(10-13)16(27)14-4-2-3-5-15(14)18(19,20)21/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyKXZXHNZMUVRDSI-UHFFFAOYSA-N
XLogP2.47
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945566
1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946004
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946284
1-[1-[1-[6-(dimethylamino)pyridazine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946005
1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945995
1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126945960
1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946105
1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126945962
1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948544
(3-pyrazol-1-ylpyrrolidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 126946676
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114499783

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126946277) is 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is CN1CCN(c2cnn(C3CN(C(=O)c4ccccc4C(F)(F)F)C3)c2)C1=O.
What is the InChIKey of 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is KXZXHNZMUVRDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-23-6-7-25(17(23)28)12-8-22-26(11-12)13-9-24(10-13)16(27)14-4-2-3-5-15(14)18(19,20)21/h2-5,8,11,13H,6-7,9-10H2,1H3.
What are the key properties of 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 393.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).