1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea

C15H25N5O2 — CID 71931087

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea
SMILESCc1cc(NC(=O)N[C@H](C(=O)N2CCCC2)C(C)C)n(C)n1
InChIInChI=1S/C15H25N5O2/c1-10(2)13(14(21)20-7-5-6-8-20)17-15(22)16-12-9-11(3)18-19(12)4/h9-10,13H,5-8H2,1-4H3,(H2,16,17,22)/t13-/m0/s1
InChIKeyJCLIHKZXSCLZPT-ZDUSSCGKSA-N
MW307.40 g/mol
LogP1.50
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea (PubChem CID 71931087) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea
PubChem CID71931087
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea
SMILESCc1cc(NC(=O)N[C@H](C(=O)N2CCCC2)C(C)C)n(C)n1
InChIInChI=1S/C15H25N5O2/c1-10(2)13(14(21)20-7-5-6-8-20)17-15(22)16-12-9-11(3)18-19(12)4/h9-10,13H,5-8H2,1-4H3,(H2,16,17,22)/t13-/m0/s1
InChIKeyJCLIHKZXSCLZPT-ZDUSSCGKSA-N
XLogP1.50
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea (CID 71931087) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea is Cc1cc(NC(=O)N[C@H](C(=O)N2CCCC2)C(C)C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea?
The InChIKey is JCLIHKZXSCLZPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10(2)13(14(21)20-7-5-6-8-20)17-15(22)16-12-9-11(3)18-19(12)4/h9-10,13H,5-8H2,1-4H3,(H2,16,17,22)/t13-/m0/s1.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea has a molecular weight of 307.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]urea is sourced from PubChem (CID 71931087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).