[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone

C19H24FN3O — CID 124733378

IUPAC[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CC[C@H]2c2ccccc2F)cnn1CC(C)C
InChIInChI=1S/C19H24FN3O/c1-4-17-15(11-21-23(17)12-13(2)3)19(24)22-10-9-18(22)14-7-5-6-8-16(14)20/h5-8,11,13,18H,4,9-10,12H2,1-3H3/t18-/m0/s1
InChIKeyKTDMXUGTYPMEJF-SFHVURJKSA-N
MW329.42 g/mol
LogP3.83
Rot. Bonds5

About [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone

[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone (PubChem CID 124733378) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
PubChem CID124733378
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CC[C@H]2c2ccccc2F)cnn1CC(C)C
InChIInChI=1S/C19H24FN3O/c1-4-17-15(11-21-23(17)12-13(2)3)19(24)22-10-9-18(22)14-7-5-6-8-16(14)20/h5-8,11,13,18H,4,9-10,12H2,1-3H3/t18-/m0/s1
InChIKeyKTDMXUGTYPMEJF-SFHVURJKSA-N
XLogP3.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 109477654
2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 120515511
5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478350
5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119043473
1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117087
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51548435
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965
(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51856497
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042913
N-[(3R)-1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-3-yl]prop-2-enamide
CID 166424543
[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 154779946

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone?
The IUPAC name of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone (CID 124733378) is [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone is CCc1c(C(=O)N2CC[C@H]2c2ccccc2F)cnn1CC(C)C.
What is the InChIKey of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone?
The InChIKey is KTDMXUGTYPMEJF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-4-17-15(11-21-23(17)12-13(2)3)19(24)22-10-9-18(22)14-7-5-6-8-16(14)20/h5-8,11,13,18H,4,9-10,12H2,1-3H3/t18-/m0/s1.
What are the key properties of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone?
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone has a molecular weight of 329.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(2S)-2-(2-fluorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 124733378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).