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

C16H18N2O2 — CID 65408926

IUPAC3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2CCOc3ccccc32)cn1
InChIInChI=1S/C16H18N2O2/c1-2-8-18-11-12(10-17-18)16(19)14-7-9-20-15-6-4-3-5-13(14)15/h3-6,10-11,14H,2,7-9H2,1H3
InChIKeySUZQCDCWWKXBJC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds4

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

3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone (PubChem CID 65408926) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone
PubChem CID65408926
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2CCOc3ccccc32)cn1
InChIInChI=1S/C16H18N2O2/c1-2-8-18-11-12(10-17-18)16(19)14-7-9-20-15-6-4-3-5-13(14)15/h3-6,10-11,14H,2,7-9H2,1H3
InChIKeySUZQCDCWWKXBJC-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
CID 65406612
3,4-dihydro-1H-isochromen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 105082158
2,3-dihydro-1,4-benzoxathiin-2-yl-(1-propylpyrazol-4-yl)methanone
CID 106600693
[3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105233771
9H-fluoren-9-ylmethyl 3-(1-propylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944044
3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
CID 63710274
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
CID 116587054
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
(1-propylpyrazol-4-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944048

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone (CID 65408926) is 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)C2CCOc3ccccc32)cn1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone?
The InChIKey is SUZQCDCWWKXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-8-18-11-12(10-17-18)16(19)14-7-9-20-15-6-4-3-5-13(14)15/h3-6,10-11,14H,2,7-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone?
3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.04, 4 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-4-yl-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 65408926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).