1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea

C15H25N5O3 — CID 72933520

IUPAC1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)[C@@H]1CN(C(=O)C2=NNC(=O)CC2)C[C@H]1NC(=O)N(C)C
InChIInChI=1S/C15H25N5O3/c1-9(2)10-7-20(8-12(10)16-15(23)19(3)4)14(22)11-5-6-13(21)18-17-11/h9-10,12H,5-8H2,1-4H3,(H,16,23)(H,18,21)/t10-,12+/m0/s1
InChIKeyJPRXTPMQNCXGPN-CMPLNLGQSA-N
MW323.40 g/mol
LogP0.01
Rot. Bonds3

About 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea

1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea (PubChem CID 72933520) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea
PubChem CID72933520
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea
SMILESCC(C)[C@@H]1CN(C(=O)C2=NNC(=O)CC2)C[C@H]1NC(=O)N(C)C
InChIInChI=1S/C15H25N5O3/c1-9(2)10-7-20(8-12(10)16-15(23)19(3)4)14(22)11-5-6-13(21)18-17-11/h9-10,12H,5-8H2,1-4H3,(H,16,23)(H,18,21)/t10-,12+/m0/s1
InChIKeyJPRXTPMQNCXGPN-CMPLNLGQSA-N
XLogP0.01
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-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-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea (CID 72933520) is 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea is CC(C)[C@@H]1CN(C(=O)C2=NNC(=O)CC2)C[C@H]1NC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea?
The InChIKey is JPRXTPMQNCXGPN-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-9(2)10-7-20(8-12(10)16-15(23)19(3)4)14(22)11-5-6-13(21)18-17-11/h9-10,12H,5-8H2,1-4H3,(H,16,23)(H,18,21)/t10-,12+/m0/s1.
What are the key properties of 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea?
1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea has a molecular weight of 323.40 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(3S,4R)-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 72933520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).