1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea

C15H17F3N4O3 — CID 119049065

IUPAC1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H17F3N4O3/c1-25-11-5-12(15(16,17)18)19-6-10(11)21-14(24)20-8-4-13(23)22(7-8)9-2-3-9/h5-6,8-9H,2-4,7H2,1H3,(H2,20,21,24)
InChIKeySUOFQWOFVWHZOY-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.99
Rot. Bonds4

About 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea

1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 119049065) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID119049065
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOc1cc(C(F)(F)F)ncc1NC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H17F3N4O3/c1-25-11-5-12(15(16,17)18)19-6-10(11)21-14(24)20-8-4-13(23)22(7-8)9-2-3-9/h5-6,8-9H,2-4,7H2,1H3,(H2,20,21,24)
InChIKeySUOFQWOFVWHZOY-UHFFFAOYSA-N
XLogP1.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea with MolForge

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Related Compounds

1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
1-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(4-methoxy-2-methylphenyl)urea
CID 25386143
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-(2-methoxyphenyl)acetamide
CID 110719761
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43970689
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244222
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 122246592
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea (CID 119049065) is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea is COc1cc(C(F)(F)F)ncc1NC(=O)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is SUOFQWOFVWHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c1-25-11-5-12(15(16,17)18)19-6-10(11)21-14(24)20-8-4-13(23)22(7-8)9-2-3-9/h5-6,8-9H,2-4,7H2,1H3,(H2,20,21,24).
What are the key properties of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea?
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 358.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 119049065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).