[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

C18H22FN3O2 — CID 110000383

IUPAC[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2C(C)(C)O)nn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-12-10-15(20-22(12)14-7-4-6-13(19)11-14)17(23)21-9-5-8-16(21)18(2,3)24/h4,6-7,10-11,16,24H,5,8-9H2,1-3H3
InChIKeyJKROCJLQDMERMW-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.70
Rot. Bonds3

About [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110000383) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110000383
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2C(C)(C)O)nn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-12-10-15(20-22(12)14-7-4-6-13(19)11-14)17(23)21-9-5-8-16(21)18(2,3)24/h4,6-7,10-11,16,24H,5,8-9H2,1-3H3
InChIKeyJKROCJLQDMERMW-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 55758691
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698662
(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122115467
(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120537361
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
1-[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 122108873
(3-chloro-4-fluorophenyl)-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 86781661
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (CID 110000383) is [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC2C(C)(C)O)nn1-c1cccc(F)c1.
What is the InChIKey of [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JKROCJLQDMERMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-10-15(20-22(12)14-7-4-6-13(19)11-14)17(23)21-9-5-8-16(21)18(2,3)24/h4,6-7,10-11,16,24H,5,8-9H2,1-3H3.
What are the key properties of [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110000383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).