(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone

C16H18FN3O — CID 70784145

IUPAC(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCc3ccc(F)cc3C2)n[nH]1
InChIInChI=1S/C16H18FN3O/c1-2-3-14-9-15(19-18-14)16(21)20-7-6-11-4-5-13(17)8-12(11)10-20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,19)
InChIKeyLRQOUZYUNSKDMJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.70
Rot. Bonds3

About (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone

(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 70784145) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID70784145
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCc3ccc(F)cc3C2)n[nH]1
InChIInChI=1S/C16H18FN3O/c1-2-3-14-9-15(19-18-14)16(21)20-7-6-11-4-5-13(17)8-12(11)10-20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,19)
InChIKeyLRQOUZYUNSKDMJ-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46964948
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 42095149
(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 56745703
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705217
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 166259909
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
(3-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70762589
(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135102517
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone (CID 70784145) is (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCc3ccc(F)cc3C2)n[nH]1.
What is the InChIKey of (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is LRQOUZYUNSKDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-3-14-9-15(19-18-14)16(21)20-7-6-11-4-5-13(17)8-12(11)10-20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,19).
What are the key properties of (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 287.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 70784145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).