1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea

C13H19N5O2 — CID 96997575

IUPAC1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C13H19N5O2/c1-2-17-7-10(6-14-17)16-13(20)15-9-5-12(19)18(8-9)11-3-4-11/h6-7,9,11H,2-5,8H2,1H3,(H2,15,16,20)/t9-/m0/s1
InChIKeyQOLSUJCLYJFNAL-VIFPVBQESA-N
MW277.33 g/mol
LogP0.79
Rot. Bonds4

About 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea

1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 96997575) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID96997575
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C13H19N5O2/c1-2-17-7-10(6-14-17)16-13(20)15-9-5-12(19)18(8-9)11-3-4-11/h6-7,9,11H,2-5,8H2,1H3,(H2,15,16,20)/t9-/m0/s1
InChIKeyQOLSUJCLYJFNAL-VIFPVBQESA-N
XLogP0.79
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019036
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-(2-aminopropyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyrazole-4-carboxamide
CID 167870282
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 84585882
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 96517507
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea (CID 96997575) is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1.
What is the InChIKey of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is QOLSUJCLYJFNAL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-17-7-10(6-14-17)16-13(20)15-9-5-12(19)18(8-9)11-3-4-11/h6-7,9,11H,2-5,8H2,1H3,(H2,15,16,20)/t9-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea?
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 277.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 96997575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).