1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide

C10H15N3O3 — CID 94825511

IUPAC1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
SMILESCn1cc(C(=O)NO[C@H]2CCCCO2)cn1
InChIInChI=1S/C10H15N3O3/c1-13-7-8(6-11-13)10(14)12-16-9-4-2-3-5-15-9/h6-7,9H,2-5H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyCRGBDBXMPGXHLW-VIFPVBQESA-N
MW225.25 g/mol
LogP0.61
Rot. Bonds3

About 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide

1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide (PubChem CID 94825511) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
PubChem CID94825511
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
SMILESCn1cc(C(=O)NO[C@H]2CCCCO2)cn1
InChIInChI=1S/C10H15N3O3/c1-13-7-8(6-11-13)10(14)12-16-9-4-2-3-5-15-9/h6-7,9H,2-5H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyCRGBDBXMPGXHLW-VIFPVBQESA-N
XLogP0.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-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 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide (CID 94825511) is 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide is Cn1cc(C(=O)NO[C@H]2CCCCO2)cn1.
What is the InChIKey of 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide?
The InChIKey is CRGBDBXMPGXHLW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13-7-8(6-11-13)10(14)12-16-9-4-2-3-5-15-9/h6-7,9H,2-5H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide?
1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide is sourced from PubChem (CID 94825511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).