3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone

C16H17N3O2 — CID 126900108

IUPAC3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESO=C(C1CCc2ccccc2O1)N1CC(n2cccn2)C1
InChIInChI=1S/C16H17N3O2/c20-16(18-10-13(11-18)19-9-3-8-17-19)15-7-6-12-4-1-2-5-14(12)21-15/h1-5,8-9,13,15H,6-7,10-11H2
InChIKeyCBMIJIVPOUXLMN-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.66
Rot. Bonds2

About 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone

3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone (PubChem CID 126900108) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
PubChem CID126900108
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
SMILESO=C(C1CCc2ccccc2O1)N1CC(n2cccn2)C1
InChIInChI=1S/C16H17N3O2/c20-16(18-10-13(11-18)19-9-3-8-17-19)15-7-6-12-4-1-2-5-14(12)21-15/h1-5,8-9,13,15H,6-7,10-11H2
InChIKeyCBMIJIVPOUXLMN-UHFFFAOYSA-N
XLogP1.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(3,4-dihydro-2H-chromen-2-yl)methanone
CID 121190211
[(2S)-3,4-dihydro-2H-chromen-2-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 95725078
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 100840144
[(2S)-3,4-dihydro-2H-chromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97437981
3,4-dihydro-2H-chromen-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346744
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
3,4-dihydro-2H-chromen-2-yl-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334181
3,4-dihydro-2H-chromen-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186166
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877286
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 95712640
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone (CID 126900108) is 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone is O=C(C1CCc2ccccc2O1)N1CC(n2cccn2)C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
The InChIKey is CBMIJIVPOUXLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(18-10-13(11-18)19-9-3-8-17-19)15-7-6-12-4-1-2-5-14(12)21-15/h1-5,8-9,13,15H,6-7,10-11H2.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone?
3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 126900108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).