[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone

C13H16ClN3O — CID 166256920

IUPAC[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1c(Cl)n[nH]c1C1CC1)N1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C13H16ClN3O/c14-12-10(11(15-16-12)7-1-2-7)13(18)17-5-8-3-4-9(8)6-17/h7-9H,1-6H2,(H,15,16)/t8-,9+
InChIKeyPHOQDOPJRQEBQZ-DTORHVGOSA-N
MW265.74 g/mol
LogP2.42
Rot. Bonds2

About [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone

[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone (PubChem CID 166256920) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone
PubChem CID166256920
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1c(Cl)n[nH]c1C1CC1)N1C[C@H]2CC[C@H]2C1
InChIInChI=1S/C13H16ClN3O/c14-12-10(11(15-16-12)7-1-2-7)13(18)17-5-8-3-4-9(8)6-17/h7-9H,1-6H2,(H,15,16)/t8-,9+
InChIKeyPHOQDOPJRQEBQZ-DTORHVGOSA-N
XLogP2.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone (CID 166256920) is [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone is O=C(c1c(Cl)n[nH]c1C1CC1)N1C[C@H]2CC[C@H]2C1.
What is the InChIKey of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone?
The InChIKey is PHOQDOPJRQEBQZ-DTORHVGOSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-12-10(11(15-16-12)7-1-2-7)13(18)17-5-8-3-4-9(8)6-17/h7-9H,1-6H2,(H,15,16)/t8-,9+.
What are the key properties of [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone?
[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone has a molecular weight of 265.74 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(3-chloro-5-cyclopropyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 166256920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).