N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide

C15H25N3O2 — CID 126454819

IUPACN-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-7-5-13(17-18)14(19)16-10-12-6-8-20-15(3,4)9-12/h5,7,11-12H,6,8-10H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyWOJPYVAWAFDGDF-GFCCVEGCSA-N
MW279.38 g/mol
LogP2.40
Rot. Bonds4

About N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 126454819) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID126454819
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)18-7-5-13(17-18)14(19)16-10-12-6-8-20-15(3,4)9-12/h5,7,11-12H,6,8-10H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyWOJPYVAWAFDGDF-GFCCVEGCSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-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-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 126454819) is N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)n1.
What is the InChIKey of N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is WOJPYVAWAFDGDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)18-7-5-13(17-18)14(19)16-10-12-6-8-20-15(3,4)9-12/h5,7,11-12H,6,8-10H2,1-4H3,(H,16,19)/t12-/m1/s1.
What are the key properties of N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 126454819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).