N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide

C12H16N4O3 — CID 91766543

IUPACN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)[C@H]2CCO[C@H]21
InChIInChI=1S/C12H16N4O3/c1-6(17)15-10-9(8-2-3-19-11(8)10)16-12(18)7-4-13-14-5-7/h4-5,8-11H,2-3H2,1H3,(H,13,14)(H,15,17)(H,16,18)/t8-,9+,10-,11-/m1/s1
InChIKeyHRCULZFKUWQTMO-LMLFDSFASA-N
MW264.28 g/mol
LogP-0.57
Rot. Bonds3

About N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide (PubChem CID 91766543) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide
PubChem CID91766543
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)[C@H]2CCO[C@H]21
InChIInChI=1S/C12H16N4O3/c1-6(17)15-10-9(8-2-3-19-11(8)10)16-12(18)7-4-13-14-5-7/h4-5,8-11H,2-3H2,1H3,(H,13,14)(H,15,17)(H,16,18)/t8-,9+,10-,11-/m1/s1
InChIKeyHRCULZFKUWQTMO-LMLFDSFASA-N
XLogP-0.57
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91764327
N-(2-cyclopropyloxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 103865039
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 133266590
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 133268611
N-[(1S,5S,6R,7S)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazine-4-carboxamide
CID 133267982
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 91779867
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 91770325
N-[(1S,5S,6R,7S)-6-[(3-fluoro-4-pyridinyl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
CID 133260494
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(benzotriazol-2-yl)acetamide
CID 133267427
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide
CID 91765094
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
CID 91766795
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-8-chloro-2-methylquinoline-4-carboxamide
CID 91782509

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide (CID 91766543) is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide is CC(=O)N[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is HRCULZFKUWQTMO-LMLFDSFASA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6(17)15-10-9(8-2-3-19-11(8)10)16-12(18)7-4-13-14-5-7/h4-5,8-11H,2-3H2,1H3,(H,13,14)(H,15,17)(H,16,18)/t8-,9+,10-,11-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide?
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91766543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).