N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide

C18H22FN3O — CID 71976301

IUPACN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC1CCc2c(F)cccc2C1NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C18H22FN3O/c1-12-6-8-14-15(4-3-5-16(14)19)18(12)21-17(23)9-7-13-10-20-22(2)11-13/h3-5,10-12,18H,6-9H2,1-2H3,(H,21,23)
InChIKeyWPKVCDYUAMFFGD-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.93
Rot. Bonds4

About N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide

N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 71976301) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID71976301
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC1CCc2c(F)cccc2C1NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C18H22FN3O/c1-12-6-8-14-15(4-3-5-16(14)19)18(12)21-17(23)9-7-13-10-20-22(2)11-13/h3-5,10-12,18H,6-9H2,1-2H3,(H,21,23)
InChIKeyWPKVCDYUAMFFGD-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96562904
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96562901
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95974141
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
CID 111861119
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea
CID 111861118
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111861112
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 71923815
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 124729881
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71917527
1-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97095078
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119939513

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide (CID 71976301) is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide is CC1CCc2c(F)cccc2C1NC(=O)CCc1cnn(C)c1.
What is the InChIKey of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is WPKVCDYUAMFFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12-6-8-14-15(4-3-5-16(14)19)18(12)21-17(23)9-7-13-10-20-22(2)11-13/h3-5,10-12,18H,6-9H2,1-2H3,(H,21,23).
What are the key properties of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 315.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).