1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

C16H25N5O2 — CID 96517507

IUPAC1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCCn1nc(C)c(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1C
InChIInChI=1S/C16H25N5O2/c1-4-21-11(3)14(10(2)19-21)8-17-16(23)18-12-7-15(22)20(9-12)13-5-6-13/h12-13H,4-9H2,1-3H3,(H2,17,18,23)/t12-/m0/s1
InChIKeyRIABIDBJJPUOMS-LBPRGKRZSA-N
MW319.41 g/mol
LogP1.08
Rot. Bonds5

About 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 96517507) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID96517507
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCCn1nc(C)c(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1C
InChIInChI=1S/C16H25N5O2/c1-4-21-11(3)14(10(2)19-21)8-17-16(23)18-12-7-15(22)20(9-12)13-5-6-13/h12-13H,4-9H2,1-3H3,(H2,17,18,23)/t12-/m0/s1
InChIKeyRIABIDBJJPUOMS-LBPRGKRZSA-N
XLogP1.08
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

(3R)-1-cyclopropyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97123174
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 96527660
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
4-[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122005360
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea
CID 96521522
ethyl 3-[(1-cycloheptyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoate
CID 45246068
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 71925662
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 96506763
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42564642

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea (CID 96517507) is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea is CCn1nc(C)c(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1C.
What is the InChIKey of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is RIABIDBJJPUOMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-21-11(3)14(10(2)19-21)8-17-16(23)18-12-7-15(22)20(9-12)13-5-6-13/h12-13H,4-9H2,1-3H3,(H2,17,18,23)/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.08, 5 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-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 96517507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).