[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone

C16H25N3O — CID 164631466

IUPAC[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)nn1C
InChIInChI=1S/C16H25N3O/c1-10(2)13-8-12(17-18(13)5)15(20)19-9-16(3,4)14(19)11-6-7-11/h8,10-11,14H,6-7,9H2,1-5H3/t14-/m0/s1
InChIKeyJPIVFDSTLYGZII-AWEZNQCLSA-N
MW275.40 g/mol
LogP2.80
Rot. Bonds3

About [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone

[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 164631466) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
PubChem CID164631466
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)nn1C
InChIInChI=1S/C16H25N3O/c1-10(2)13-8-12(17-18(13)5)15(20)19-9-16(3,4)14(19)11-6-7-11/h8,10-11,14H,6-7,9H2,1-5H3/t14-/m0/s1
InChIKeyJPIVFDSTLYGZII-AWEZNQCLSA-N
XLogP2.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone (CID 164631466) is [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)nn1C.
What is the InChIKey of [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is JPIVFDSTLYGZII-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(2)13-8-12(17-18(13)5)15(20)19-9-16(3,4)14(19)11-6-7-11/h8,10-11,14H,6-7,9H2,1-5H3/t14-/m0/s1.
What are the key properties of [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone?
[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 164631466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).