N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

C11H17N3O4 — CID 138035045

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCOC1(CNC(=O)c2cc(=O)n(C)[nH]2)CCOC1
InChIInChI=1S/C11H17N3O4/c1-14-9(15)5-8(13-14)10(16)12-6-11(17-2)3-4-18-7-11/h5,13H,3-4,6-7H2,1-2H3,(H,12,16)
InChIKeyPWHPTXCPWLYXBK-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.75
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 138035045) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID138035045
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCOC1(CNC(=O)c2cc(=O)n(C)[nH]2)CCOC1
InChIInChI=1S/C11H17N3O4/c1-14-9(15)5-8(13-14)10(16)12-6-11(17-2)3-4-18-7-11/h5,13H,3-4,6-7H2,1-2H3,(H,12,16)
InChIKeyPWHPTXCPWLYXBK-UHFFFAOYSA-N
XLogP-0.75
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide 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 N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (CID 138035045) is N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is COC1(CNC(=O)c2cc(=O)n(C)[nH]2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is PWHPTXCPWLYXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-14-9(15)5-8(13-14)10(16)12-6-11(17-2)3-4-18-7-11/h5,13H,3-4,6-7H2,1-2H3,(H,12,16).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138035045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).