[3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone

C19H24FN3O2 — CID 42879249

IUPAC[3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(-c2ccc(OC)cc2F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C19H24FN3O2/c1-3-9-23-18(19(24)22-10-5-4-6-11-22)13-17(21-23)15-8-7-14(25-2)12-16(15)20/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyPGZGYHFBZKRTOC-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.73
Rot. Bonds5

About [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone

[3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 42879249) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone
PubChem CID42879249
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name[3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(-c2ccc(OC)cc2F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C19H24FN3O2/c1-3-9-23-18(19(24)22-10-5-4-6-11-22)13-17(21-23)15-8-7-14(25-2)12-16(15)20/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyPGZGYHFBZKRTOC-UHFFFAOYSA-N
XLogP3.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 46105523
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
[1-(3,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42758942
ethyl 4-[3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759088
[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42759046
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105532
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42755348
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
1-[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51053300
3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
CID 42879228
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342901

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone (CID 42879249) is [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone is CCCn1nc(-c2ccc(OC)cc2F)cc1C(=O)N1CCCCC1.
What is the InChIKey of [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is PGZGYHFBZKRTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-9-23-18(19(24)22-10-5-4-6-11-22)13-17(21-23)15-8-7-14(25-2)12-16(15)20/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone?
[3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 345.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-methoxyphenyl)-1-propylpyrazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42879249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).