5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide

C17H25F2N3O2 — CID 56794907

IUPAC5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCCOC1CC(N(C)C(=O)c2cnn(C)c2C(F)F)C12CCCC2
InChIInChI=1S/C17H25F2N3O2/c1-4-24-13-9-12(17(13)7-5-6-8-17)21(2)16(23)11-10-20-22(3)14(11)15(18)19/h10,12-13,15H,4-9H2,1-3H3
InChIKeyLNYCZYXBZFBPJD-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.17
Rot. Bonds5

About 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide

5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 56794907) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID56794907
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCCOC1CC(N(C)C(=O)c2cnn(C)c2C(F)F)C12CCCC2
InChIInChI=1S/C17H25F2N3O2/c1-4-24-13-9-12(17(13)7-5-6-8-17)21(2)16(23)11-10-20-22(3)14(11)15(18)19/h10,12-13,15H,4-9H2,1-3H3
InChIKeyLNYCZYXBZFBPJD-UHFFFAOYSA-N
XLogP3.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-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 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide (CID 56794907) is 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide is CCOC1CC(N(C)C(=O)c2cnn(C)c2C(F)F)C12CCCC2.
What is the InChIKey of 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is LNYCZYXBZFBPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-4-24-13-9-12(17(13)7-5-6-8-17)21(2)16(23)11-10-20-22(3)14(11)15(18)19/h10,12-13,15H,4-9H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide?
5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(3-ethoxyspiro[3.4]octan-1-yl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 56794907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).