1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea

C16H25N5O3 — CID 154753476

IUPAC1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC1CCN(C)C1=O
InChIInChI=1S/C16H25N5O3/c1-9-13(10(2)21(4)19-9)14-11(6-8-24-14)17-16(23)18-12-5-7-20(3)15(12)22/h11-12,14H,5-8H2,1-4H3,(H2,17,18,23)/t11-,12?,14-/m0/s1
InChIKeyMSQDLDHVGDFUNH-PSIKVXPXSA-N
MW335.41 g/mol
LogP0.40
Rot. Bonds3

About 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea

1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 154753476) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID154753476
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC1CCN(C)C1=O
InChIInChI=1S/C16H25N5O3/c1-9-13(10(2)21(4)19-9)14-11(6-8-24-14)17-16(23)18-12-5-7-20(3)15(12)22/h11-12,14H,5-8H2,1-4H3,(H2,17,18,23)/t11-,12?,14-/m0/s1
InChIKeyMSQDLDHVGDFUNH-PSIKVXPXSA-N
XLogP0.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-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-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea (CID 154753476) is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NC1CCN(C)C1=O.
What is the InChIKey of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is MSQDLDHVGDFUNH-PSIKVXPXSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-9-13(10(2)21(4)19-9)14-11(6-8-24-14)17-16(23)18-12-5-7-20(3)15(12)22/h11-12,14H,5-8H2,1-4H3,(H2,17,18,23)/t11-,12?,14-/m0/s1.
What are the key properties of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea?
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 335.41 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 154753476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).