N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C16H25N3O3 — CID 133268868

IUPACN-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H25N3O3/c1-9(2)12-7-13(19(3)18-12)16(20)17-14-10-5-6-22-15(10)11(14)8-21-4/h7,9-11,14-15H,5-6,8H2,1-4H3,(H,17,20)/t10-,11-,14-,15-/m1/s1
InChIKeyWOMYRMOMWIIHEE-YIKOMLBNSA-N
MW307.39 g/mol
LogP1.32
Rot. Bonds5

About N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 133268868) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID133268868
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOC[C@@H]1[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H25N3O3/c1-9(2)12-7-13(19(3)18-12)16(20)17-14-10-5-6-22-15(10)11(14)8-21-4/h7,9-11,14-15H,5-6,8H2,1-4H3,(H,17,20)/t10-,11-,14-,15-/m1/s1
InChIKeyWOMYRMOMWIIHEE-YIKOMLBNSA-N
XLogP1.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 133268868) is N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is COC[C@@H]1[C@H](NC(=O)c2cc(C(C)C)nn2C)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is WOMYRMOMWIIHEE-YIKOMLBNSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-9(2)12-7-13(19(3)18-12)16(20)17-14-10-5-6-22-15(10)11(14)8-21-4/h7,9-11,14-15H,5-6,8H2,1-4H3,(H,17,20)/t10-,11-,14-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 133268868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).