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

C15H21N3O2 — CID 91762510

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

N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide (PubChem CID 91762510) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 91762510
• Molecular Formula: C15H21N3O2
• Molecular Weight: 275.35 g/mol
• Exact Mass: 275.16
• IUPAC Name: N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
• SMILES: O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccn[nH]1
• InChI: InChI=1S/C15H21N3O2/c19-15(11-5-7-16-18-11)17-13-10-6-8-20-14(10)12(13)9-3-1-2-4-9/h5,7,9-10,12-14H,1-4,6,8H2,(H,16,18)(H,17,19)/t10-,12+,13-,14-/m0/s1
• InChIKey: GZSSSCIRSNMWQX-GHYVTOPFSA-N
• XLogP: 1.73
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.35
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide (CID 91762510) is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccn[nH]1.

What is the InChIKey of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is GZSSSCIRSNMWQX-GHYVTOPFSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(11-5-7-16-18-11)17-13-10-6-8-20-14(10)12(13)9-3-1-2-4-9/h5,7,9-10,12-14H,1-4,6,8H2,(H,16,18)(H,17,19)/t10-,12+,13-,14-/m0/s1.

What are the key properties of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide?

N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91762510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).